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Publications

2016

  • T.G. Newland, S. Moret, A. Bécue, S.W. Lewis, Further investigations into the single metal deposition (SMD II) technique for the detection of latent fingermarks, Forensic Science International, accepted for publication 2016
  • A.A. Frick, G.E. Chidlow, J.V. Goodpaster, S.W. Lewis, W. van Bronswijk, Monitoring compositional changes of the lipid fraction of fingermark residues deposited on paper during storage, Forensic Chemistry, accepted for publication 2016
  • Goodpaster, John V. Improving the confidence of “questioned versus known” fiber comparisons using microspectrophotometry and chemometrics. Forensic Chemistry.
  • Boon, M., Jones, F. Barium Sulfate Crystallization from Synthetic Seawater. Crystal Growth & Design. DOI: 10.1021/acs.cgd.6b00729
  • Sauzier, G., D. Bors, J. Ash, J.V. Goodpaster and S.W.Lewis, 2016 “Optimisation of recovery protocols for double-base smokeless powder residues analysed by total vaporisation (TV) SPME/GC–MS” Talanta doi:10.1016/j.talanta.2016.04.048
  • Elden T. Garrett, Yiwen Pei, Andrew B. Lowe* ‘Microwave-Assisted Synthesis of Block Copolymer Nanoparticles via Polymerization-Induced Self-Assembly in Methanol’ Polymer Chemistry 2016, 7, 297-301. DOI: 10.1039/c5py01672j.
  • Yicheng Zhu, Rhiannon Batchelor, Andrew B. Lowe, Peter J. Roth* ‘Design of Thermoresponsive Polymers with Aqueous LCST, UCST, or both: Modification of a Reactive Poly(2-vinyl-4,4-dimethylazlactone) Scaffold’ Macromolecules 2016, 49, 672-680. DOI: 10.1021/acs.macromol.5b02056.
  • Yiwen Pei, Kevin Jarrett, Leonardo Gutierrez Garces, Martin Saunders, Jean-Philippe Croue, Peter J. Roth, Craig E. Buckley, Andrew B. Lowe* ‘Synthesis and Characterization of Non-ionic AB-Diblock Nanoparticles Prepared by RAFT Dispersion Polymerization with Polymerization-Induced Self-Assembly’ RSC Advances 2016, 6, 28130-28139. DOI: 10.1039/c6ra04649e.
  • Yiwen Pei, Kevin Jarrett, Martin Saunders, Peter J. Roth, Craig E. Buckley, Andrew B. Lowe* ‘Triply Responsive Soft Matter Nano-Objects based on Poly[oligo(ethylene glycol) methyl ether methacrylate-b-3-phenylpropyl methacrylate] Copolymers’ Polymer Chemistry 2016, 7, 2740-2750.  DOI: 10.1039/c6py00254d.
  • Junquiao, L., Arrigan, D., Silvester, D. Mechanical polishing as an improved surface treatment for platinum screen-printed electrodes. Sensing and Bio-Sensing Research. In-press. doi:10.1016/j.sbsr.2016.05.006
  • Junquiao, L., Silvester, D. Low-cost microarray thin-film electrodes with ionic liquid gel-polymer electrolytes for miniaturised oxygen sensing. Analyst, 2016,141, 3705-3713. doi: 10.1039/C6AN00281A
  • Junquiao, L., Arrigan, D., Silvester, D. Achievement of Prolonged Oxygen Detection in Room-Temperature Ionic Liquids on Mechanically Polished Platinum Screen-Printed Electrodes. Analytical Chemistry. 2016, 88 (10), pp 5104–5111. doi: 10.1021/acs.analchem.5b04782
  • Kang, C., Junquiao, L., Silvester, D. Electroreduction of 2,4,6-Trinitrotoluene in Room Temperature Ionic Liquids: Evidence of an EC2 Mechanism. The Journal of Physical Chemistry 2016, 120 (20), pp 10997–11005. doi: 10.1021/acs.jpcc.6b03018
  • Liu, Y., Holzinger, A., Knittel, P., Poltorak, L., Gamero-Quijano, A., Rickard, W., Walcarius, A., Herzog, G., Kranz, C., Arrigan, D. Visualization of Diffusion within Nanoarrays. Analytical Chemistry doi: 10.1021/acs.analchem.6b00513
  • Tian, H. and Saunders, M. and Dodd, A. and O’Donnell, K. and Jaroniec, M. and Liu, S. and Liu, J. 2016. Triconstituent co-assembly synthesis of N,S-doped carbon-silica nanospheres with smooth and rough surfaces. Journal of Materials Chemistry A. 4 (10): pp. 3721-3727.
  • Zhang, L., Qian, K., Wang, X., Zhang, F., Shi, X., Jiang, Y., Liu, S., Jaroniec, M. and Liu, J. (2016), Yolk–Shell Structures: Yolk–Shell Structured Aluminum Phenylphosphonate Microspheres with Anionic Core and Cationic Shell (Adv. Sci. 5/2016). Advanced Science. doi: 10.1002/advs.201670023
  • Errington, B., G. Lawson, S.W. Lewis and G.D. Smith, 2016.  “Micronised Egyptian blue pigment: A novel near-infrared luminescent fingerprint dusting powder” Dyes and Pigments doi:10.1016/j.dyepig.2016.05.008
  • K. Murugappan, D.S. Silvester, Electrochemical studies of hydrogen chloride gas in several room temperature ionic liquids: mechanism and sensing. Phys. Chem. Chem. Phys., 2016,18, 2488-2494.
  • Arooj, M., N. S. Gandhi, C. Kreck, D. W. Arrigan, and R. L. Mancera. 2016.“Adsorption and Unfolding of Lysozyme at a Polarized Aqueous-Organic Liquid Interface.”Journal of Physical Chemistry B 120 (12): 3100-3112.
  • D.W.M. Arrigan, E. Alvarez de Eulate, Y. Liu, Electroanalytical opportunities derived from ion transfer at interfaces between immiscible electrolyte solutions, Australian Journal of Chemistry, accepted 6 March 2016. MS# CH15796.
  • D.W.M. Arrigan, Y. Liu, Electroanalytical ventures at nanoscale interfaces between immiscible liquids,Annual Review of Analytical Chemistry, in press, DOI: 10.1146/annurev-anchem-071015-041415. (available ca. May’16).
  • E. Alvarez de Eulate, J. Strutwolf, Y. Liu, K. O’Donnell, D.W.M. Arrigan, An electrochemical sensing platform based on liquid-liquid microinterface arrays formed in laser-ablated glass membranes. Analytical Chemistry, 88 (2016) 2596–2604. DOI: 10.1021/acs.analchem.5b03091.
  • J. Lee, D.W.M. Arrigan, D.S. Silvester, Achievement of Prolonged Oxygen Detection in Room Temperature Ionic Liquids on Mechanically Polished Platinum Screen-Printed Electrodes, Analytical Chemistry, accepted 10 April 2016. DOI: 10.1021/acs.analchem.5b04782.
  • C. Kang, J. Lee, D.S. Silvester, Electro-Reduction of 2,4,6-Trinitrotoluene in Room Temperature Ionic Liquids: Evidence of an EC2 Mechanism, The Journal of Physical Chemistry, Just Accepted Manuscript, DOI: 10.1021/acs.jpcc.6b03018
  • Y. Cheng, A. Memar, M. Saunders, J. Pan, C. Liu, J.D. Gale, R. Demichelis, P. Shen and S. Jiang, “Dye functionalized carbon nanotubes for photoelectrochemical water splitting-role of inner tubes”, J. Mater. Chem. A, 4, 2473-2483 (2016)
  • J. Bristow, K. Svane, D. Tiana, J. Skelton, J.D. Gale and A. Walsh, “Free energy of ligand removal in the metal-organic framework UiO-66”, J. Phys. Chem. C, 120, 9276 (2016)
  • Maric, M., W. van Bronswijk, K. Pitts and S.W. Lewis, 2016 “Characterisation and classification of automotive clear coats with Raman spectroscopy and chemometrics for forensic purposes” Journal of Raman Spectroscopy DOI: 10.1002/jrs.4925 (Accepted 29 Feb 2016)
  • Sauzier, G., D. Bors, J. Ash, J.V. Goodpaster and S.W.Lewis, 2016 “Optimisation of recovery protocols for double-base smokeless powder residues analysed by total vaporisation (TV) SPME/GC–MS” Talanta doi:10.1016/j.talanta.2016.04.048 (Accepted 23 April 2016)
  • Errington, B., G. Lawson, S.W. Lewis and G.D. Smith, 2016.  “Micronised Egyptian blue pigment: A novel near-infrared luminescent fingerprint dusting powder” Dyes and Pigments doi:10.1016/j.dyepig.2016.05.008 (Accepted 9 May 2016)
  • Karousis, N., I. Suarez-Martinez, C. Ewels, and N. Tagmatarchis. 2016.“Structure, Properties, Functionalization, and Applications of Carbon Nanohorns.”Chemical Reviews 116 (8): 4850-4883.
  • Vimalanathan, K., J. Gascooke, I. Suarez-Martinez, N. A. Marks, H. Kumari, C. Garvey, J. Atwood, W. Lawrance, and C. Raston. 2016.“Fluid dynamic lateral slicing of high tensile strength carbon nanotubes.”Scientific Reports 6. Article number: 22865
  • Demichelis, M. De La Pierre, M. Mookherjee, C. M. Zicovich-Wilson, R. Orlando. “Serpentine polymorphism: a quantitative insight from first-principle calculations” CrystEngComm  DOI: 10.1039/C6CE00190D
  • Alvarez de Eulate, F. Busetti, D.W.M. Arrigan, Evaluation of interfacial sulfate complexation by a bis-thiourea ionophore at water-organic interfaces using microelectrochemistry and high resolution mass spectrometry, Microchemical Journal, accepted 25 October 2016. MS# MICROC-D-16-00436.
  • B.J.J. Austen, D.W.M. Arrigan, Electrochemical signature of hen egg white lysozyme at the glycerol-modified liquid-liquid interface, Electrochimica Acta, 221 (2016) 62–69. DOI: 10.1016/j.electacta.2016.10.098

2015

  • de Eulate, E. and Silvester, D. and Arrigan, D. 2015. Void-Assisted Ion-Paired Proton Transfer at Water-Ionic Liquid Interfaces.. Angew Chem Int Ed Engl.
  • Murugappan, K. and Arrigan, D. and Silvester, D. 2015. Electrochemical Behavior of Chlorine on Platinum Microdisk and Screen-Printed Electrodes in a Room Temperature Ionic Liquid. Journal of Physical Chemistry C. 119 (41): pp. 23572-23579.
  • S. Silvester and Murugappan, K. and Silvester, D. 2015. Sensors for Highly Toxic Gases: Methylamine and Hydrogen Chloride Detection at Low Concentrations in an Ionic Liquid on Pt Screen Printed Electrodes. doi:10.3390/s151026866. 15: pp. 26866-26876.
  • Pei, Y., Noy, J. -M., Roth, P. J., & Lowe, A. B. (2015). Soft Matter Nanoparticles with Reactive Coronal Pentafluorophenyl Methacrylate Residues via Non-Polar RAFT Dispersion Polymerization and Polymerization-Induced Self-Assembly. Journal of Polymer Science, Part A: Polymer Chemistry, 53(20), 2326-2335. doi:10.1002/pola.27696
  • Zhu, Y., Noy, J. -M., Lowe, A. B., & Roth, P. J. (2015). The synthesis and aqueous solution properties of sulfobutylbetaine (co)polymers: Comparison of synthetic routes and tuneable upper critical solution temperatures. Polymer Chemistry, 6(31), 5705-5718. doi:10.1039/c5py00160a
  • Pei, Y., Noy, J. -M., Roth, P. J., & Lowe, A. B. (2015). Thiol-reactive Passerini-methacrylates and polymorphic surface functional soft matter nanoparticles via ethanolic RAFT dispersion polymerization and post-synthesis modification. Polymer Chemistry, 6(11), 1928-1931. doi:10.1039/c4py01558d
  • Pei, Y., Thurairajah, L., Sugita, O. R., & Lowe, A. B. (2015). RAFT dispersion polymerization in nonpolar media: Polymerization of 3-phenylpropyl methacrylate in n -tetradecane with poly(stearyl methacrylate) homopolymers as macro chain transfer agents. Macromolecules, 48(1), 236-244. doi:10.1021/ma502230h
  • Quek, J. Y., Liu, X., Davis, T. P., Roth, P. J., & Lowe, A. B. (2015). RAFT-prepared α-difunctional poly(2-vinyl-4,4-dimethylazlactone)s and their derivatives: Synthesis and effect of end-groups on aqueous inverse temperature solubility. Polymer Chemistry, 6(1), 118-127. doi:10.1039/c4py01108b
  • Pei, Y., Dharsana, N. C., & Lowe, A. B. (2015). Ethanolic RAFT dispersion polymerization of 2-(naphthalen-2-yloxy)ethyl methacrylate and 2-phenoxyethyl methacrylate with poly[2-(dimethylamino)ethyl methacrylate] macro-chain transfer agents. Australian Journal of Chemistry, 68(6), 939-945. doi:10.1071/CH14490
  • Li, Y., Duong, H. T. T., Laurent, S., Macmillan, A., Whan, R. M., Elst, L. V., . . . Davis, T. P. (2015). Nanoparticles based on star polymers as theranostic vectors: Endosomal-triggered drug release combined with mri sensitivity. Advanced Healthcare Materials, 4(1), 148-156. doi:10.1002/adhm.201400164
  • Pei, Y., Sugita, O. R., Quek, J. Y., Roth, P. J., & Lowe, A. B. (2015). pH-, thermo- and electrolyte-responsive polymer gels derived from a well-defined, RAFT-synthesized, poly(2-vinyl-4,4-dimethylazlactone) homopolymer via one-pot post-polymerization modification. European Polymer Journal, 62, 204-213. doi:10.1016/j.eurpolymj.2014.11.025
  • Van Hensbergen, J. A., Ganda, S., Roth, P. J., Burford, R. P., & Lowe, A. B. (2015). ROMP synthesis of novel thermo-, ph-, and salt-responsive (Co) polymers containing the morpholino functional group. Journal of Polymer Science, Part A: Polymer Chemistry, 53(1), 50-58. doi:10.1002/pola.27436
  • Van Hensbergen, J. A., Liu, M., Burford, R. P., & Lowe, A. B. (2015). Simultaneous ROMP and titania sol-gel reactions and nanodispersed functional organic-inorganic composite hybrid materials. Journal of Materials Chemistry C, 3(3), 693-702. doi:10.1039/c4tc01971g
  • Pei, Y., Noy, J. -M., Roth, P. J., & Lowe, A. B. (2015). Soft matter nanoparticles with reactive coronal pentafluorophenyl methacrylate residues via non-polar RAFT dispersion polymerization and polymerization-induced self-assembly. Journal of Polymer Science, Part A: Polymer Chemistry. doi:10.1002/pola.27696
  • Pei, Y., Sugita, O. R., Thurairajah, L., & Lowe, A. B. (2015). Synthesis of poly(stearyl methacrylate-b-3-phenylpropyl methacrylate) nanoparticles in n-octane and associated thermoreversible polymorphism. RSC Advances, 5(23), 17636-17646. doi:10.1039/c5ra00274e
  • Shtukenberg, A. G., Poloni, L. N., Zhu, Z., An, Z., Bhandari, M., Song, P., . . . Ward, M. D. (2015). Dislocation-actuated growth and inhibition of hexagonal l-cystine crystallization at the molecular level. Crystal Growth and Design, 15(2), 921-934. doi:10.1021/cg501485eFukuma, B. Reischl, N. Kobayashi, P. Spijker, F. Federici Canova, K. Miyazawa and A. S. Foster, “Mechanism of atomic force microscopy imaging of three-dimensional hydration structures at a solid-liquid interface”, accepted in Phys. Rev. B (2015).
  • Tracey, F. Federici Canova, O. Keisanen, D. Z. Gao, P. Spijker, B. Reischl and A. S. Foster, “Flexible and Modular virtual scanning probe microscope”, Comput. Phys. Commun. 196, 429-438 (2015).Reischl, F. Federici Canova, P. Spijker, M. Watkins and A. S. Foster, “Simulating Solid-Liquid Interfaces in Atomic Force Microscopy”, Noncontact Atomic Force Microscopy, Vol. 3, S. Morita, F. J. Giessibl, E. Meyer and R. Wiesendanger (Editors), Springer, Switzerland (2015).
  • Lee, J., Du Plessis, G., Arrigan, D. W. M., & Silvester, D. S. (2015). Towards improving the robustness of electrochemical gas sensors: Impact of PMMA addition on the sensing of oxygen in an ionic liquid. Analytical Methods, 7(17), 7327-7335. doi:10.1039/c5ay00497g
  • Felisilda, B. M. B., Alvarez de Eulate, E., & Arrigan, D. W. M. (2015). Investigation of a solvent-cast organogel to form a liquid-gel microinterface array for electrochemical detection of lysozyme. Analytica Chimica Acta. doi:10.1016/j.aca.2015.08.024
  • Liu, Y., Sairi, M., Neusser, G., Kranz, C., & Arrigan, D. W. M. (2015). Achievement of diffusional independence at nanoscale liquid-liquid interfaces within arrays. Analytical Chemistry, 87(11), 5486-5490. doi:10.1021/acs.analchem.5b01162
  • Liu, Y., Strutwolf, J., & Arrigan, D. W. M. (2015). Ion-transfer voltammetric behavior of propranolol at nanoscale liquid-liquid interface arrays. Analytical Chemistry, 87(8), 4487-4494. doi:10.1021/acs.analchem.5b00461
  • Sairi, M., Chen-Tan, N., Neusser, G., Kranz, C., & Arrigan, D. (2015). Electrochemical Characterisation of Nanoscale Liquid j Liquid Interfaces Located at Focused Ion Beam-Milled Silicon Nitride Membranes. ChemElectroChem, 2, 98-105.
  • Sairi, M., & Arrigan, D. W. M. (2015). Electrochemical detection of ractopamine at arrays of micro-liquid | liquid interfaces. Talanta, 132, 205-214. doi:10.1016/j.talanta.2014.08.060
  • Sairi, M., Chen-Tan, N., Neusser, G., Kranz, C., & Arrigan, D. W. M. (2015). Electrochemical Characterisation of Nanoscale Liquid|Liquid Interfaces Located at Focused Ion Beam-Milled Silicon Nitride Membranes. ChemElectroChem, 2(1), 98-105. doi:10.1002/celc.201402252
  • Doornbusch, B., Bunney, K., Gan, B. K., Jones, F., & Gräfe, M. (2015). Iron oxide formation from FeCl2 solutions in the presence of uranyl (UO2 2+) cations and carbonate rich media. Geochimica et Cosmochimica Acta, 158, 22-47. doi:10.1016/j.gca.2015.02.038
  • Boon, M. P., Freeman, S., Ogden, M. I., Oliveira, A., Richmond, W. R., Skelton, B. W., . . . Jones, F. (2015). The many roles of mellitic acid during barium sulfate crystallization. Faraday Discussions, 179, 343-357. doi:10.1039/c4fd00211c
  • Crabbe, H., Fernandez, N., & Jones, F. (2015). Crystallization of jarosite in the presence of amino acids. Journal of Crystal Growth, 416, 28-33. doi:10.1016/j.jcrysgro.2015.01.011
  • McMulkin, C. J., Massi, M., & Jones, F. (2015). Tetrazoles: Calcium oxalate crystal growth modifiers. CrystEngComm, 17(13), 2675-2681. doi:10.1039/c4ce01717j\
  • Jia, G., Xu, S., & Wang, A. (2015). Emerging strategies for the synthesis of monodisperse colloidal semiconductor quantum rods. Journal of Materials Chemistry C, 3(32), 8284-8293. doi:10.1039/c5tc01234a
  • Fu, J., Zheng, P., Du, P., Duan, A., Zhao, Z., Jiang, G., . . . Chi, K. (2015). Zirconium modified TUD-1 mesoporous catalysts for the hydrodesulfurization of FCC diesel. Applied Catalysis A: General, 502, 320-328. doi:10.1016/j.apcata.2015.06.026
  • Gao, J., Zhang, X., Lu, Y., Liu, S., & Liu, J. (2015). Selective functionalization of hollow nanospheres with acid and base groups for cascade reactions. Chemistry – A European Journal, 21(20), 7403-7407. doi:10.1002/chem.201500532
  • Duan, A., Li, T., Niu, H., Yang, X., Wang, Z., Zhao, Z., . . . Pan, H. (2015). Synthesis of a novel zeolite W and application in the catalyst for FCC gasoline hydro-upgrading. Catalysis Today, 245, 163-171. doi:10.1016/j.cattod.2014.05.030
  • Wu, Z., Zhao, G., Zhang, Y., Liu, J., Zhang, Y. -N., & Shi, H. (2015). A solar-driven photocatalytic fuel cell with dual photoelectrode for simultaneous wastewater treatment and hydrogen production. Journal of Materials Chemistry A, 3(7), 3416-3424. doi:10.1039/c4ta06604a
  • Zhou, Y., Cao, Z., Han, Y., Li, Q., Shi, C., Dou, R., . . . Wu, N. (2015). A low power global shutter pixel with extended FD voltage swing range for large format high speed CMOS image sensor. Science China Information Sciences. doi:10.1007/s11432-014-5272-8
  • Dai, Z., Liu, J., & Wang, C. (2015). QoS-based device-to-device communication schemes in heterogeneous wireless networks. IET Communications, 9(3), 335-341. doi:10.1049/iet-com.2014.0268
  • Meng, J., Li, X., Wang, C., Guo, H., Liu, J., & Xu, H. (2015). Carbon nanotubes activate macrophages into A m1/m2 mixed status: Recruiting naive macrophages and supporting angiogenesis. ACS Applied Materials and Interfaces, 7(5), 3180-3188. doi:10.1021/am507649n
  • Su, J., Liu, J., & Yang, G. (2015). Current control strategy for six-phase PMSM based on MPC under open-circuit fault condition. In 2014 17th International Conference on Electrical Machines and Systems, ICEMS 2014 (pp. 1607-1611). Institute of Electrical and Electronics Engineers Inc.. doi:10.1109/ICEMS.2014.7013734
  • Meng, M., Guo, M., Yuan, Y., Jiang, L., Liu, J., Hu, D., . . . Hao, D. (2015). DC micro-grid based on DC traction power supply system and electric vehicle batteries charging & discharging system. In 2014 17th International Conference on Electrical Machines and Systems, ICEMS 2014 (pp. 2579-2582). Institute of Electrical and Electronics Engineers Inc.. doi:10.1109/ICEMS.2014.7013936
  • Hua, X., Yang, J., Wu, H., & Liu, J. (2015). Direct torque control of a permanent magnet synchronous generator based on space vector modulation. In 2014 17th International Conference on Electrical Machines and Systems, ICEMS 2014 (pp. 3520-3523). Institute of Electrical and Electronics Engineers Inc.. doi:10.1109/ICEMS.2014.7014099
  • Meng, M., Guo, M., Yuan, Y., Jiang, L., Liu, J., Hu, D., . . . Hao, D. (2015). Research of DC micro-grid based on sustainable buildings and electric vehicles. In 2014 17th International Conference on Electrical Machines and Systems, ICEMS 2014 (pp. 269-272). Institute of Electrical and Electronics Engineers Inc.. doi:10.1109/ICEMS.2014.7013486
  • Mooney, V., Sekharan, S., Liu, J., Guo, Y., Batista, V. S., & Yan, E. C. Y. (2015). Kinetics of thermal activation of an ultraviolet cone pigment. Journal of the American Chemical Society, 137(1), 307-313. doi:10.1021/ja510553f
  • Tang, J., Liu, J., Li, C., Li, Y., Tade, M. O., Dai, S., . . . Yamauchi, Y. (2015). Synthesis of nitrogen-doped mesoporous carbon spheres with extra-largepores through assembly of diblock copolymer micelles. Angewandte Chemie – International Edition, 54(2), 588-593. doi:10.1002/anie.201407629
  • Liu, J., Ye, Z., Zhang, L., Fang, X., & Zhang, Z. (2015). A combined numerical and experimental study on graphene/ionic liquid nanofluid based direct absorption solar collector. Solar Energy Materials and Solar Cells, 136, 177-186. doi:10.1016/j.solmat.2015.01.013
  • Zhang, K., Zuo, W., Wang, Z., Liu, J., Li, T., Wang, B., . . . Yang, Z. (2015). A simple route to CoFe<inf>2</inf>O<inf>4</inf> nanoparticles with shape and size control and their tunable peroxidase-like activity. RSC Advances, 5(14), 10632-10640. doi:10.1039/c4ra15675g
  • Li, L., Gu, W., Liu, J., Yan, S., & Xu, Z. P. (2015). Amine-functionalized SiO2 nanodot-coated layered double hydroxide nanocomposites for enhanced gene delivery. Nano Research, 8(2), 682-694. doi:10.1007/s12274-014-0552-6
  • Gao, J., Chen, J., Li, X., Wang, M., Zhang, X., Tan, F., . . . Liu, J. (2015). Azide-functionalized hollow silica nanospheres for removal of antibiotics. Journal of Colloid and Interface Science, 444, 38-41. doi:10.1016/j.jcis.2014.12.054
  • Liu, J., Duan, X., Zhang, Y., & Jiang, H. (2015). Cation distribution and photoluminescence properties of Mn-doped ZnGa2O4 nanoparticles. Journal of Physics and Chemistry of Solids, 81, 15-19. doi:10.1016/j.jpcs.2015.01.009
  • Tang, J., Liu, J., Li, C., Li, Y., Tade, M., Dai, S., . . . Yamauchi, Y. (2015). Diblock Copolymer Micelle Templates for Synthesis of N-doped Monodispersed Mesoporous Carbon Spheres with Extra Large Pore Sizes. Angewandte Chemie-International Edition, 54, 588-593.
  • Yang, T., Zhou, R., Wang, D. -W., Jiang, S. P., Yamauchi, Y., Qiao, S. Z., . . . Liu, J. (2015). Hierarchical mesoporous yolk-shell structured carbonaceous nanospheres for high performance electrochemical capacitive energy storage. Chemical Communications, 51(13), 2518-2521. doi:10.1039/c4cc09366f
  • Boyjoo, Y., Merigot, K., Lamonier, J. -F., Pareek, V. K., Tade, M. O., & Liu, J. (2015). Synthesis of CaCO3@C yolk-shell particles for CO2 adsorption. RSC Advances, 5(32), 24872-24876. doi:10.1039/c5ra02427g
  • Tang, J., Salunkhe, R. R., Liu, J., Torad, N. L., Imura, M., Furukawa, S., . . . Yamauchi, Y. (2015). Thermal conversion of core-shell metal-organic frameworks: A new method for selectively functionalized nanoporous hybrid carbon. Journal of the American Chemical Society, 137(4), 1572-1580. doi:10.1021/ja511539a
  • Pigott, J. S., Wright, K., Gale, J. D., & Panero, W. R. (2015). Calculation of the energetics of water incorporation in majorite garnet. American Mineralogist, 100(5-6), 1065-1075. doi:10.2138/am-2015-5063
  • Bilić, A., Gale, J. D., Gibson, M. A., Wilson, N., & McGregor, K. (2015). Prediction of novel alloy phases of Al with Sc or Ta. Scientific Reports, 5. doi:10.1038/srep09909
  • Cheng, Y., Xu, C., Jia, L., Gale, J. D., Zhang, L., Liu, C., . . . Jiang, S. P. (2015). Pristine carbon nanotubes as non-metal electrocatalysts for oxygen evolution reaction of water splitting. Applied Catalysis B: Environmental, 163, 96-104. doi:10.1016/j.apcatb.2014.07.049
  • Erba, A., Maul, J., De La Pierre, M., & Dovesi, R. (2015). Structural and elastic anisotropy of crystals at high pressures and temperatures from quantum mechanical methods: The case of Mg<inf>2</inf>SiO<inf>4</inf> forsterite. Journal of Chemical Physics, 142(20). doi:10.1063/1.4921781
  • Demichelis, R., Bruno, M., Massaro, F. R., Prencipe, M., De La Pierre, M., & Nestola, F. (2015). First-principle modelling of forsterite surface properties: Accuracy of methods and basis sets. Journal of Computational Chemistry. doi:10.1002/jcc.23941
  • Barrie, S. C., Bucat, R. B., Buntine, M. A., Burke da Silva, K., Crisp, G. T., George, A. V., . . . Yeung, A. (2015). Development, Evaluation and Use of a Student Experience Survey in Undergraduate Science Laboratories: The Advancing Science by Enhancing Learning in the Laboratory Student Laboratory Learning Experience Survey. International Journal of Science Education, 37(11), 1795-1814. doi:10.1080/09500693.2015.1052585
  • Barrie, S. C., Bucat, R. B., Buntine, M. A., Burke da Silva, K., Crisp, G. T., George, A. V., . . . Yeung, A. (2015). Development, Evaluation and Use of a Student Experience Survey in Undergraduate Science Laboratories: The Advancing Science by Enhancing Learning in the Laboratory Student Laboratory Learning Experience Survey. International Journal of Science Education. doi:10.1080/09500693.2015.1052585
  • McIldowie, M. J., Skelton, B. W., Mocerino, M., & Ogden, M. I. (2015). A lanthanum picrate complex of a 1,2-bisamide substituted calix[4]arene.  Journal of Inclusion  Phenomena and Macrocyclic Chemistry, 82(1-2), 43-46. doi:10.1007/s10847-015-0475-1
  • McIldowie, M. J., Mocerino, M., Ogden, M. I., Skelton, B. W., & White, A. H. (2015). C-4 Dissymmetric resorcinarene derivatives: synthesis, crystal structure and micelle formation.  Journal of Inclusion  Phenomena and Macrocyclic Chemistry, 82(1-2), 47-51. doi:10.1007/s10847-015-0525-8
  • Boon, M. P., Freeman, S., Ogden, M. I., Oliveira, A., Richmond, W. R., Skelton, B. W., . . . Jones, F. (2015). The many roles of mellitic acid during barium sulfate crystallization. Faraday Discussions, 179, 343-357. doi:10.1039/c4fd00211c
  • D’Alessio, D., Lombardo, D. M., Vaughan, J. G., Skelton, B. W., Barnard, K. R., & Ogden, M. I. (2015). Structural variations in metal complexes of a tertiary α-hydroxyoxime. Dalton Transactions, 44(16), 7163-7168. doi:10.1039/c4dt03393k
  • Mcildowie, M., Skelton, B., Mocerino, M., & Ogden, M. (2015). A lanthanum picrate complex of a 1,2-bisamide substituted calix[4]arene. Journal of Inclusion Phenomena and Macrocyclic Chemistry, 81(1-2).
  • Reid, B. L., Moore, E. G., Skelton, B. W., Ogden, M. I., & Massi, M. (2015). Investigation of the Photophysical Properties of a Eu3+ Coordination Polymer Bearing an α-Nitrile Substituted β-Diketonate Ligand via Emission and Ultrafast Transient Absorption Spectroscopy. Australian Journal of Chemistry, 68(9), 1392-1398. doi:10.1071/CH15253
  • Fuller, R. O., Koutsantonis, G. A., Lozić, I., Ogden, M. I., & Skelton, B. W. (2015). Manganese-calcium clusters supported by calixarenes. Dalton Transactions, 44(5), 2132-2137. doi:10.1039/c4dt02952f
  • D’Alessio, D., Lombardo, D., Vaughan, J., Skelton, B., Barnard, K., & Ogden, M. (2015). Structural variations in metal complexes of a tertiary a-hydroxyoxime. Dalton Transactions, 44(16), 7071-7688.
  • Werrett, M. V., Huff, G. S., Muzzioli, S., Fiorini, V., Zacchini, S., Skelton, B. W., . . . Massi, M. (2015). Methylated Re(i) tetrazolato complexes: Photophysical properties and Light Emitting Devices. Dalton Transactions, 44(18), 8379-8393. doi:10.1039/c4dt03228d
  • McMulkin, C. J., Massi, M., & Jones, F. (2015). Tetrazoles: Calcium oxalate crystal growth modifiers. CrystEngComm, 17(13), 2675-2681. doi:10.1039/c4ce01717j
  • Baschieri, A., Muzzioli, S., Matteucci, E., Stagni, S., Massi, M., & Sambri, L. (2015). New heterometallic Ir(iii)2-Eu(iii) complexes: White light emission from a single molecule. Dalton Transactions, 44(1), 37-40. doi:10.1039/c4dt01910e
  • McIldowie, M. J., Skelton, B. W., Mocerino, M., & Ogden, M. I. (2015). A lanthanum picrate complex of a 1,2-bisamide substituted calix[4]arene. Journal of Inclusion  Phenomena and Macrocyclic Chemistry, 82(1-2), 43-46. doi:10.1007/s10847-015-0475-1
  • McIldowie, M. J., Mocerino, M., Ogden, M. I., Skelton, B. W., & White, A. H. (2015). C-4 Dissymmetric resorcinarene derivatives: synthesis, crystal structure and micelle formation. Journal of Inclusion  Phenomena and Macrocyclic Chemistry, 82(1-2), 47-51. doi:10.1007/s10847-015-0525-8
  • Mcildowie, M., Skelton, B., Mocerino, M., & Ogden, M. (2015). A lanthanum picrate complex of a 1,2-bisamide substituted calix[4]arene. Journal of Inclusion Phenomena and Macrocyclic Chemistry, 81(1-2).
  • Buchan, J. T., Robinson, M., Christie, H. J., Roach, D. L., Ross, D. K., & Marks, N. A. (2015). Molecular dynamics simulation of radiation damage cascades in diamond. Journal of Applied Physics, 117(24). doi:10.1063/1.4922457
  • Dorado, B., Uberuaga, B. P., Marks, N. A., & Stanek, C. R. (2015). Accelerated chemical aging of crystalline nuclear waste forms: A density functional theory study of 109 Cd <inf>x</inf>109 Ag<inf>1-x</inf>S. Nuclear Instruments and Methods in Physics Research, Section B: Beam Interactions with Materials and Atoms, 352, 130-134. doi:10.1016/j.nimb.2014.12.033
  • Marks, N. A., & Robinson, M. (2015). Variable timestep algorithm for molecular dynamics simulation of non-equilibrium processes. Nuclear Instruments and Methods in Physics Research, Section B: Beam Interactions with Materials and Atoms, 352, 3-8. doi:10.1016/j.nimb.2014.11.094
  • Bennett, J. M., Marks, N. A., Miwa, J. A., Lopinski, G. P., Rosei, F., McKenzie, D. R., . . . Warschkow, O. (2015). Reaction pathways for pyridine adsorption on silicon (0 0 1). Journal of Physics Condensed Matter, 27(5). doi:10.1088/0953-8984/27/5/054001
  • Scappucci, G., Klesse, W. M., Yeoh, L. A., Carter, D. J., Warschkow, O., Marks, N. A., . . . Hamilton, A. R. (2015). Bottom-up assembly of metallic germanium. Scientific Reports, 5. doi:10.1038/srep12948
  • Christie, H. J., Robinson, M., Roach, D. L., Ross, D. K., Suarez-Martinez, I., & Marks, N. A. (2015). Simulating radiation damage cascades in graphite. Carbon, 81(1), 105-114. doi:10.1016/j.carbon.2014.09.031
  • Erba, A., Maul, J., Demichelis, R., & Dovesi, R. (2015). Assessing thermochemical properties of materials through ab initio quantum-mechanical methods: The case of α-Al 2 O 3 . Physical Chemistry Chemical Physics, 17(17), 11670-11677. doi:10.1039/c5cp01537e
  • Ferrari, A., Demichelis, R., Pascale, F., Meyer, A., Maschio, L., & Dovesi, R. (2015). Quantum-mechanical Simulation of the IR Reflectance Spectrum of Mn3Al2Si3O12 Spessartine. AIP Conference Proceedings.
  • van der Pal, K. J., Sauzier, G., Maric, M., van Bronswijk, W., Pitts, K., & Lewis, S. W. (2015). The effect of environmental degradation on the characterisation of automotive clear coats by infrared spectroscopy. Talanta. doi:10.1016/j.talanta.2015.08.058
  • Fritz, P., van Bronswijk, W., & Lewis, S. W. (2015). A new p-dimethylaminocinnamaldehyde reagent formulation for the photoluminescence detection of latent fingermarks on paper. Forensic Science International, 257, 20-28. doi:10.1016/j.forsciint.2015.07.037
  • Frick, A. A., Chidlow, G., Lewis, S. W., & van Bronswijk, W. (2015). Investigations into the initial composition of latent fingermark lipids by gas chromatography-mass spectrometry. Forensic Science International, 254, 133-147. doi:10.1016/j.forsciint.2015.06.032
  • Yu, H. A., Lewis, S. W., Beardah, M. S., & NicDaeid, N. (2015). Assessing a novel contact heater as a new method of recovering explosives traces from porous surfaces. Talanta. doi:10.1016/j.talanta.2015.07.082
  • Fritz, P., Van Bronswijk, W., Dorakumbura, B., Hackshaw, B., & Lewis, S. (2015). Evaluation of a solvent-free p-dimethylaminobenzaldehyde method for fingermark visualisation with a low cost light source suitable for remote locations. Journal of Forensic Identification, 65(1), 67-90.
  • Sauzier, G., Giles, P., Lewis, S. W., & Van Bronswijk, W. (2015). In situ studies into the characterisation and degradation of blue ballpoint inks by diffuse reflectance visible spectroscopy. Analytical Methods, 7(12), 4892-4900. doi:10.1039/c5ay00761e
  • Van Der Pal, K. J., Maric, M., Van Bronswijk, W., & Lewis, S. W. (2015). Ultraviolet-visible spectroscopic characterisation of automotive window tints for forensic purposes. Analytical Methods, 7(13), 5391-5395. doi:10.1039/c5ay01381j
  • Fritz, P., Frick, A., Van Bronswijk, W., Lewis, S., Beaudoin, A., Bleay, S., . . . Lennard, C. (2015). Variability and subjectivity in the grading process for evaluating the performance of latent fingermark detection techniques. Journal of Forensic Identification, 65(6), 853-867.
  • Evans, N. J., McInnes, B. I. A., McDonald, B., Danišík, M., Becker, T., Vermeesch, P., . . . Patterson, D. B. (2015). An in situ technique for (U-Th-Sm)/He and U-Pb double dating. Journal of Analytical Atomic Spectrometry, 30(7), 1636-1645. doi:10.1039/c5ja00085h
  • Hotz, C. J., Mead-Hunter, R., Becker, T., King, A. J. C., Wurster, S., Kasper, G., . . . Mullins, B. J. (2015). Detachment of droplets from cylinders in flow using an experimental analogue. Journal of Fluid Mechanics, 771, 327-340. doi:10.1017/jfm.2015.177
  • Mo, J., Eggers, P. K., Chen, X., Ahamed, M. R. H., Becker, T., Lim, L. Y., . . . Raston, C. L. (2015). Shear induced carboplatin binding within the cavity of a phospholipid mimic for increased anticancer efficacy. Scientific Reports, 5. doi:10.1038/srep10414
  • Liu, Y., Sairi, M., Neusser, G., Kranz, C., & Arrigan, D. W. M. (2015). Achievement of diffusional independence at nanoscale liquid-liquid interfaces within arrays. Analytical Chemistry, 87(11), 5486-5490. doi:10.1021/acs.analchem.5b01162
  • Liu, Y., Strutwolf, J., & Arrigan, D. W. M. (2015). Ion-transfer voltammetric behavior of propranolol at nanoscale liquid-liquid interface arrays. Analytical Chemistry, 87(8), 4487-4494. doi:10.1021/acs.analchem.5b00461
  • Pei, Y., Noy, J. -M., Roth, P. J., & Lowe, A. B. (2015). Soft Matter Nanoparticles with Reactive Coronal Pentafluorophenyl Methacrylate Residues via Non-Polar RAFT Dispersion Polymerization and Polymerization-Induced Self-Assembly. Journal of Polymer Science, Part A: Polymer Chemistry, 53(20), 2326-2335. doi:10.1002/pola.27696
  • Pei, Y., Noy, J. -M., Roth, P. J., & Lowe, A. B. (2015). Thiol-reactive Passerini-methacrylates and polymorphic surface functional soft matter nanoparticles via ethanolic RAFT dispersion polymerization and post-synthesis modification. Polymer Chemistry, 6(11), 1928-1931. doi:10.1039/c4py01558d
  • Pei, Y., Thurairajah, L., Sugita, O. R., & Lowe, A. B. (2015). RAFT dispersion polymerization in nonpolar media: Polymerization of 3-phenylpropyl methacrylate in n -tetradecane with poly(stearyl methacrylate) homopolymers as macro chain transfer agents. Macromolecules, 48(1), 236-244. doi:10.1021/ma502230h
  • Pei, Y., Dharsana, N. C., & Lowe, A. B. (2015). Ethanolic RAFT dispersion polymerization of 2-(naphthalen-2-yloxy)ethyl methacrylate and 2-phenoxyethyl methacrylate with poly[2-(dimethylamino)ethyl methacrylate] macro-chain transfer agents. Australian Journal of Chemistry, 68(6), 939-945. doi:10.1071/CH14490
  • Pei, Y., Sugita, O. R., Quek, J. Y., Roth, P. J., & Lowe, A. B. (2015). pH-, thermo- and electrolyte-responsive polymer gels derived from a well-defined, RAFT-synthesized, poly(2-vinyl-4,4-dimethylazlactone) homopolymer via one-pot post-polymerization modification. European Polymer Journal, 62, 204-213. doi:10.1016/j.eurpolymj.2014.11.025
  • Raiteri, R. Demichelis, and J. D. Gale. “A Thermodynamically Consistent Force Field for Molecular Dynamics Simulations of Alkaline-earth Carbonates and Their Aqueous Speciation.” The Journal of Physical Chemistry C, 119, 24447–24458 DOI: 10.1021/acs.jpcc.5b07532

2014

  • Adjizian JJ, Leghrib R, Koos AA, Suarez-Martinez I, Crossley A, Wagner P, Grobert N, Llobet E, Ewels CP 2014, ‘Boron- and nitrogen-doped multi-wall carbon nanotubes for gas detection’, in Carbon, Pergamon, UK., Vol. 66, pp. 662-673
  • Alvarez de Eulate E, Qiao L, Scanlon MD, Girault HH, Arrigan DW 2014, ‘Fingerprinting the tertiary structure of electroadsorbed lysozyme at soft interfaces by electrostatic spray ionization mass spectrometry’, in Chemical Communications, The Royal Society of Chemistry, Cambridge, England., Vol. 50, pp. 11829-11832
  • Bader C, Brooks RD, Ng YS, Sorvina A, Werrett MV, Wright PJ, Anwer AG, Brooks DA, Stagni S, Muzzioli S, Silberstein M, Skelton BW, Goldys EM, Plush SE, Shandala T, Massi M 2014, ‘Modulation of the organelle specificity in Re(i) tetrazolato complexes leads to labeling of lipid droplets’, in RSC Advances, Royal Society of Chemistry, United Kingdom., Vol. 4, pp. 16345-16351
  • Barnard KR, Shiers D, Mcildowie M, Skelton BW, Ogden MI, McCoy TM 2014, ‘Characterization and Inhibition of a Nickel-Alpha-Hydroxyoxime (LIX 63) Salt Precipitate Formed under Proposed Commercial Operating Conditions’, in Industrial & Engineering Chemistry Research, American Chemical Society, United States., Vol. 53, pp. 8208-8214
  • Baschieri A, Muzzioli S, Fiorini V, Matteucci E, Massi M, Sambri L, Stagni S 2014, ‘Introducing a New Family of Biotinylated Ir(III)-Pyridyltriazole Lumophores: Synthesis, Photophysics, and Preliminary Study of Avidin-Binding Properties’, in Organometallics, ACS Publications, United States., Vol. 33, pp. 6154-6164
  • Boyjoo Y, Pareek VK, Liu J 2014, ‘Synthesis of Micro and Nano-Sized Calcium Carbonate Particles and Their Applications’, in Journal of Materials Chemistry A, R S C Publications, United Kingdom., Vol. 2, pp. 14270-14288
  • Bruno M, Massaro FR, Prencipe M, Demichelis R, De La Pierre M, Nestola F 2014, ‘Ab Initio Calculations of the Main Crystal Surfaces of Forsterite (Mg2SiO4): A Preliminary Study to Understand the Nature of Geochemical Processes at the Olivine Interface’, in The Journal of Physical Chemistry C, American Chemical Society, United States., Vol. 118, pp. 2498-2506
  • Bunney K, Freeman S, Ogden MI, Richmond WR, Rohl AL, Jones F 2014, ‘Effect of Lanthanum on the Crystal Growth of Barium Sulfate’, in Crystal Growth and Design, American Chemical Society, Washington DC, USA., Vol. 14, pp. 1650-1658
  • Carlson WD, Gale JD, Wright KV 2014, ‘Incorporation of Y and REEs in aluminosilicate garnet: Energetics from atomistic simulation’, in American Mineralogist, Mineralogical Society of America, US., Vol. 99, pp. 1022-1034
  • Carter DJ, Rohl AL 2014, ‘Benchmarking Calculated Lattice Parameters and Energies of Molecular Crystals Using van der Waals Density Functionals’, in Journal of Chemical Theory and Computation, American Chemical Society, US., Vol. 10, pp. 3423-3437
  • Carter DJ, Rohl AL 2014, ‘van der Waals Corrected Density Functional Calculations of the Adsorption of Benzene on the Cu (111) Surface’, in Journal of Computation Chemistry, Wiley Periodicals Inc., Wilmington, DE., Vol. 35, pp. 2263-2271
  • Chester R, Sohail M, Ogden MI, Mocerino M, Pretsch E, De Marco R 2014, ‘A calixarene-based ion-selective electrode for thallium(I) detection’, in Analytica Chimica Acta, Elsevier, Netherlands., Vol. 851, pp. 78-86
  • D’Alessio D, Sobolev AN, Skelton BW, Fuller RO, Woodward RC, Lengkeek N, Fraser BH, Massi M, Ogden MI 2014, ‘Lanthanoid “Bottlebrush” Clusters: Remarkably Elongated Metal-Oxo Core Structures with Controllable Lengths’, in Journal of the American Chemical Society, American Chemical Society, United States of America., Vol. 136, pp. 15122-15125
  • De La Pierre M, Bruno M, Manfredotti C, Nestola F, Prencipe M, Manfredotti C 2014, ‘The (100), (111) and (110) surfaces of diamond: an ab initio B3LYP study’, in Molecular Physics, Taylor & Francis, United Kingdom., Vol. 112, pp. 1030-1039
  • De La Pierre M, Carteret C, Maschio L, Andre E, Orlando R, Dovesi R 2014, ‘The Raman spectrum of CaCO3 polymorphs calcite and aragonite: A combined experimental and computational study’, in The Journal of Chemical Physics, American Institute of Physics, New York, USA., Vol. 140
  • De La Pierre M, Demichelis R, Wehrmeister U, Jacob DE, Raiteri P, Gale JD, Orlando R 2014, ‘Probing the Multiple Structures of Vaterite through Combined Computational and Experimental Raman Spectroscopy’, in The Journal of Physical Chemistry C, American Chemical Society, United States., Vol. 118, pp. 27493-27501
  • De La Pierre M, Orlando R, Ferrabone M, Zicovich-Wilson CM, Dovesi R 2014, ‘Exploitation of symmetry in periodic Self-Consistent-Field ab initio calculations: application to large three-dimensional compounds’, in Science China Chemistry, Zhongguo Kexue Zazhishe, China., Vol. 57, pp. 1418-1426
  • Demichelis R, Raiteri P, Gale JD 2014, ‘Structure of hydrated calcium carbonates: A first-principles study’, in Journal of Crystal Growth, Elsevier, Netherlands., Vol. 401, pp. 33-37
  • DeVol RT, Metzler RA, Kabalah-Amitai L, Pokroy B, Politi Y, Gal A, Addadi L, Weiner S, Fernandez-Martinez A, Demichelis R, Gale JD, Ihli J, Meldrum FC, Blonsky AZ, Killian CE, Salling CB, Young AT, Marcus MA, Scholl A, Doran A, Jenkins C, Bechtel HA, Gilbert PU 2014, ‘Oxygen Spectroscopy and Polarization-Dependent Imaging Contrast (PIC)-Mapping of Calcium Carbonate Minerals and Biominerals’, in The Journal of Physical Chemistry B, American Chemical Society, United States., Vol. 118, pp. 8449-8457
  • Dincer TD, Ogden MI, Parkinson GM 2014, ‘Investigation of growth rate dispersion in lactose crystallisation by AFM’, in Journal of Crystal Growth, Elsevier, Netherlands., Vol. 402, pp. 215-221
  • Dovesi R, Orlando R, Erba A, Zicovich-Wilson CM, Civalleri B, Casassa S, Maschio L, Ferrabone M, De La Pierre M, D’Arco P, Noel Y, Causa M, Rerat M, Kirtman B 2014, ‘CRYSTAL14: A Program for the Ab Initio Investigation of Crystalline Solids’, in International Journal of Quantum Chemistry, John Wiley & Sons Inc, Hoboken, USA., Vol. 114, pp. 1287-1317
  • Eggers PK, Eroglu E, Becker T, Chen X, Vimalanathan K, Stubbs KA, Smith S, Raston C 2014, ‘Nitrate uptake by p-phosphonic acid or p-(trimethylammonium)methyl calix[8]arene stablized laminar materials’, in RSC Advances, Royal Society of Chemistry, United Kingdom., Vol. 4, pp. 48348-48352
  • Fan S, Yang L, Wang Y, Lang X, Wen Y, Lou X 2014, ‘Rapid and high capacity methane storage in clathrate hydrates using surfactant dry solution’, in Chemical Engineering Science, Pergamon, United Kingdom., Vol. 106, pp. 53-59
  • Feng X, Guo H, Patel K, Zhou H, Lou X 2014, ‘High performance, recoverable Fe3O4-ZnO nanoparticles for enhanced photocatalytic degradation of phenol’, in Chemical Engineering Journal, Elsevier BV, Netherlands., Vol. 244, pp. 327-334
  • Frick AA, Busetti FM, Cross A, Lewis SW 2014, ‘Aqueous Nile blue: a simple, versatile and safe reagent for the detection of latent fingermarks’, in Chemical Communications, The Royal Society of Chemistry, Cambridge, England., Vol. 50, pp. 3341-3343
  • Fritz P, Van Bronswijk W, Fisher D, Lewis SW 2014, ‘Preliminary investigations into a commercial thermal fingerprint developer for the visualisation of latent fingermarks on paper substrates’, in Journal of Forensic Identification, International Association for Identification, Mendota Heights, MN., Vol. 64, pp. 536-555
  • Furmaniak S, Terzyk AP, Gauden PA, Kowalczyk P, Harris PJ 2014, ‘Folding of graphene slit like pore walls-a simple method of improving CO2 separation from mixtures with CH4 or N2’, in Journal of Physics: Condensed Matter, Institute of Physics Publishing Ltd., United Kingdom., Vol. 26
  • Furmaniak S, Terzyk AP, Kaneko K, Gauden PA, Kowalczyk P, Ohba T 2014, ‘Surface to volume ratio of carbon nanohorn – a crucial factor in co 2/ch4 mixture separation’, in Chemical Physics Letters, Elsevier BV, Netherlands., Vol. 595-596, pp. 67-72
  • Gao J, Zhang X, Xu S, Liu J, Tan F, Li X, Qu Z, Zhang Y, Xie Q 2014, ‘Clickable SBA-15 to Screen Functional Groups for Adsorption of Antibiotics’, in Chemistry – An Asian Journal, Wiley – V C H Verlag GmbH & Co. KGaA, Germany., Vol. 9, pp. 908-914
  • Gao J, Zhang X, Xu S, Tan F, Li X, Zhang Y, Qu Z, Quan X, Liu J 2014, ‘Clickable Periodic Mesoporous Organosilicas: Synthesis, Clickability and Adsorption of Antibiotics’, in Chemistry – A European Journal, Wiley – V C H Verlag GmbH & Co. KGaA, Weinheim, Germany., Vol. 20, pp. 1957-1963
  • Gauden PA, Terzyk AP, Furmaniak S, Wloch J, Kowalczyk P, Zielinski W 2014, ‘MD simulation of organics adsorption from aqueous solution in carbon slit-like pores. Foundations of the pore blocking effect’, in Journal of Physics: Condensed Matter, Institute of Physics Publishing Ltd., United Kingdom., Vol. 26
  • Gebauer D, Kellermeier M, Gale JD, Bergstrom L, Colfen H 2014, ‘Pre-nucleation clusters as solute precursors in crystallisation’, in Chemical Society Reviews, RSC Publishing, Cambridge, UK., Vol. 43, pp. 2348-2371
  • Glasser L 2014, ‘Thermodynamic Consistencies and Anomalies among End-Member Silicate Garnets’, in Inorganic Chemistry, American Chemical Society, United States., Vol. 53, pp. 9322-9325
  • Glasser L 2014, ‘Thermodynamics of Inorganic Hydration and of Humidity Control, with an Extensive Database of Salt Hydrate Pairs’, in Journal of Chemical & Engineering Data, American Chemical Society, United States., Vol. 59, pp. 526-530
  • Glasser L 2014, ‘Thermodynamic consistencies and anomalies among end-member lanthanoid garnets’, in The Journal of Chemical Thermodynamics, Academic Press, United Kingdom., Vol. 78, pp. 93-98
  • Glasser L, Jenkins HB, Klapotke TM 2014, ‘Is the Volume-Based Thermodynamics (VBT) Approach Valid for the Estimation of the Lattice Enthalpy of Salts Containing the 5,5-(Tetrazolate- 1N-oxide) Dianion?’, in Zeitschrift für anorganische und allgemeine Chemie, John Wiley & Sons Ltd, Germany., Vol. 640, pp. 1297-1299
  • Glasser L, Roobottom HK, Jenkins HB 2014, ‘Multidimensional thermochemical cycles – Exploring three dimensions: Designer tool for estimation of the thermodynamics of reactions under varying conditions and for estimating elusive thermodynamic data’, in The Journal of Chemical Thermodynamics, Academic Press, United Kingdom., Vol. 73, pp. 130-133
  • Goh CY, Baldini L, Casnati A, Jones F, Mocerino M, Ogden MI, Sansone F, Ungaro R 2014, ‘Upper-rim acidic peptidocalixarenes as crystal growth modifiers’, in Supramolecular Chemistry, Taylor and Francis Ltd, Abingdon, England., Vol. 26, pp. 488-499
  • Grygoryev K, Herzog G, Jackson N, Strutwolf J, Arrigan DW, McDermott K, Galvin P 2014, ‘Reversible Integration of Microfluidic Devices with Microelectrode Arrays for Neurobiological Applications’, in BioNanoScience, Springer, United States., Vol. 4, pp. 263-275
  • Han D, Wu J, Yan Z, Zhang K, Liu J, Liu S 2014, ‘La0.6Sr0.4Co0.2Fe0.8O3-[delta] hollow fibre membrane performance improvement by coating of Ba0.5Sr0.5Co0.9Nb0.1O3-[delta] porous layer’, in RSC Advances, Royal Society of Chemistry, United Kingdom., Vol. 4, pp. 19999-20004
  • Heberling F, Vinograd VL, Polly , Gale JD, Heck S, Rothe J, Bosbach D, Geckeis H, Winkler B 2014, ‘A thermodynamic adsorption/entrapment model for selenium(IV) coprecipitation with calcite’, in Geochimica et Cosmochimica Acta, Pergamon, United Kingdom., Vol. 134, pp. 16-38
  • Ireland M, Wang XT, Radomirovic T, Smith P, Jones F 2014, ‘Investigating the impact of anatase on the dissolution of boehmite’, in Hydrometallurgy, Elsevier, Netherlands., Vol. 147-148, pp. 246-254
  • Kowalczyk P, Terzyk AP, Gauden PA, Furmaniak S, Kaneko K 2014, ‘Toward in silico modeling of palladium-hydrogen-carbon nanohorn nanocomposites’, in Physical Chemistry Chemical Physics, R S C Publications, United Kingdom., Vol. 16, pp. 11763-11769
  • Kowalczyk P, Terzyk AP, Gauden PA, Furmaniak S, Wisniewski M, Burian A, Hawelek L, Kaneko K, Neimark AV 2014, ‘Carbon Molecular Sieves: Reconstruction of Atomistic Structural Models with Experimental Constraints’, in The Journal of Physical Chemistry C, American Chemical Society, United States., Vol. 118, pp. 12996-13007
  • Liu J, Zhang Q, Yang J, Ma H, Tade MO, Wang S, Liu J 2014, ‘Facile synthesis of carbon-doped mesoporous anatase TiO2 for the enhanced visible-light driven photocatalysis’, in Chemical Communications, The Royal Society of Chemistry, Cambridge, England., Vol. 50, pp. 13971-13974
  • Liu T, Liu L, Liu J, Liu S, Qiao S 2014, ‘Fe3O4 encapsulated mesoporous silica nanospheres with tunable size and large void pore’, in Frontiers of Chemical Science and Engineering, Gaodeng Jiaoyu Chubanshe, China., Vol. 8, pp. 114-122
  • Machuca L, Jeffrey R, Bailey SI, Gubner R, Watkin EL, Ginige M, Kaksonen AH, Heidersbach K 2014, ‘Filtration-UV irradiation as an option for mitigating the risk of microbiologically influenced corrosion of subsea construction alloys in seawater’, in Corrosion Science, Elsevier, United Kingdom., Vol. 79, pp. 89-99
  • Mahali SM, Wang S, Lou X 2014, ‘Estimation of effective diffusion coefficients of drug delivery devices in a flow-through system’, in Journal of Engineering Mathematics, Springer Netherlands, Netherlands., Vol. 87, pp. 139-152
  • Maric M, Van Bronswijk W, Lewis SW, Pitts K 2014, ‘Synchrotron FTIR characterisation of automotive primer surfacer paint coatings for forensic purposes’, in Talanta, Elsevier, Amsterdam, The Netherlands., Vol. 118, pp. 156-161
  • Maschio L, Demichelis R, Orlando R, De La Pierre M, Mahmoud A, Dovesi R 2014, ‘The Raman spectrum of grossular garnet: a quantum mechanical simulation of wavenumbers and intensities’, in Journal of Raman Spectroscopy, John Wiley & Sons Ltd, United Kingdom., Vol. 45, pp. 710-715
  • Mazzola F, Edmonds MT, Hoydalsvik K, Carter DJ, Marks NA, Cowie BC, Thomsen L, Miwa JA, Simmons MY, Wells JW 2014, ‘Determining the Electronic Confinement of a Subsurface Metallic State’, in ACS Nano, American Chemical Society, United States., Vol. 8, pp. 10223-10228
  • Miwa JA, Warchkow O, Carter DJ, Marks NA, Mazzola F, Simmons MY, Wells JW 2014, ‘Valley Splitting in a Silicon Quantum Device Platform’, in Nano Letters: a journal dedicated to nanoscience and nanotechnology, American Chemical Society, USA., Vol. 14, pp. 1515-1519
  • Murugappan K, Kang C, Silvester DS 2014, ‘Electrochemical Oxidation and Sensing of Methylamine Gas in Room Temperature Ionic Liquids’, in The Journal of Physical Chemistry C, American Chemical Society, United States., Vol. 118, pp. 19232-19237
  • Murugappan K, Silvester DS, Chaudhary DS, Arrigan DW 2014, ‘Electrochemical Characterization of an Oleyl-coated Magnetite Nanoparticle-Modified Electrode’, in ChemElectroChem, Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim, Germany., Vol. 1, pp. 1211-1218
  • Noel Y, De La Pierre M, Zicovich-Wilson CM, Orlando R, Dovesi R 2014, ‘Structural, electronic and energetic properties of giant icosahedral fullerenes up to C6000: insights from an ab initio hybrid DFT study’, in Physical Chemistry Chemical Physics, R S C Publications, United Kingdom., Vol. 16, pp. 13390-13401
  • Ogden MI, Raston CL, Radomirovic T, Jones F 2014, ‘Impact of Tunable Oligophosphonates on Barium Sulfate Crystallization’, in Crystal Growth and Design, American Chemical Society, Washington DC, USA., Vol. 14, pp. 1419-1429
  • Orlando R, De La Pierre M, Zicovich-Wilson CM, Erba A, Dovesi R 2014, ‘On the full exploitation of symmetry in periodic (as well as molecular) self-consistentfield ab initio calculations’, in The Journal of Chemical Physics, American Institute of Physics, New York, USA., Vol. 141
  • Ottochian A, Dezanneau G, Gilles C, Raiteri P, Knight C, Gale JD 2014, ‘Influence of isotropic and biaxial strain on proton conduction in Y-doped BaZrO3: a reactive molecular dynamics study’, in Journal of Materials Chemistry A, R S C Publications, United Kingdom., Vol. 2, pp. 3127-3133
  • Pandarinathan V, Lepkova K, Bailey SI, Becker T, Gubner R 2014, ‘Adsorption of corrosion inhibitor 1-dodecylpyridinium chloride on carbon steel studied by in situ AFM and electrochemical methods’, in Industrial and Engineering Chemistry Research, American Chemical Society, United States., Vol. 53, pp. 5858-5865
  • Peng J, Liu J, Liu J, Yang Y, Li C, Yang Q 2014, ‘Fabrication of core-shell structured mesoporous silica nanospheres with dually oriented mesochannels through pore engineering’, in Journal of Materials Chemistry A, R S C Publications, United Kingdom., Vol. 2, pp. 8118-8125
  • Poinern GE, Le X, O’Dea M, Becker T, Fawcett D 2014, ‘Chemical Synthesis, Characterisation, and Biocompatibility of Nanometre Scale Porous Anodic Aluminium Oxide Membranes for Use as a Cell Culture Substrate for the Vero Cell Line: A Preliminary Study’, in BioMed Research International, Hindawi Publishing Corporation, US., Vol. 2014
  • Prencipe M, Bruno M, Nestola F, De La Pierre M, Nimis P 2014, ‘Toward an accurate ab initio estimation of compressibility and thermal expansion of diamond in the [0, 3000 K] temperature and [0, 30 GPa] pressures ranges, at the hybrid HF/DFT theoretical level’, in American Mineralogist, Mineralogical Society of America, US., Vol. 99, pp. 1147-1154
  • Reid B, Stagni S, Malicka J, Cocchi M, Hanan GS, Ogden MI, Massi M 2014, ‘Lanthanoid [beta]-triketonates: a new class of highly efficient NIR emitters for bright NIR-OLEDs’, in Chemical Communications, The Royal Society of Chemistry, Cambridge, England., Vol. 50, pp. 11580-11582
  • Robinson M, Marks NA 2014, ‘NanoCap: A framework for generating capped carbon nanotubes and fullerenes’, in Computer Physics Communications, Elsevier BV, North Holland., Vol. 185, pp. 2519-2526
  • Robinson M, Marks NA, Lumpkin GR 2014, ‘Structural dependence of threshold displacement energies in rutile, anatase and brookite TiO2’, in Materials Chemistry and Physics, Elsevier Science SA, Lausanne, Switzerland., Vol. 147, pp. 311-318
  • Sailaja GS, Nair BN, Gale JD, Yamaguchi T 2014, ‘Amino acid inspired microscale organization of metallic nanocrystals’, in Journal of Materials Chemistry A, R S C Publications, United Kingdom., Vol. 2014, pp. 100-106
  • Sassi M, Carter DJ, Uberuaga BP, Stanek CR, Mancera RL, Marks NA 2014, ‘Hydrogen Bond Disruption in DNA Base Pairs from 14C Transmutation’, in The Journal of Physical Chemistry B, American Chemical Society, United States., Vol. 118, pp. 10430-10435
  • Sassi M, Carter DJ, Uberuaga BP, Stanek CR, Marks NA 2014, ‘Carbon-14 decay as a source of non-canonical bases in DNA’, in Biochimica et Biophysica Acta – General Subjects, Elsevier BV, Netherlands., Vol. 1840, pp. 526-534
  • Senaputra A, Jones F, Fawell P, Smith PG 2014, ‘Focused beam reflectance measurement for monitoring the extent and efficiency of flocculation in mineral systems’, in AI Ch E Journal, John Wiley & Sons, Inc., United States., Vol. 60, pp. 251-265
  • Shi B, Fan S, Lou X 2014, ‘Application of the shrinking-core model to the kinetics of repeated formation of methane hydrates in a system of mixed dry-water and porous hydrogel particulates’, in Chemical Engineering Science, Pergamon, United Kingdom., Vol. 109, pp. 315-325
  • Vaughan J, Reid B, Wright PJ, Ramchandani S, Skelton BW, Raiteri P, Muzzioli S, Brown DH, Stagni S, Massi M 2014, ‘Photophysical and Photochemical Trends in Tricarbonyl Rhenium(I) N-Heterocyclic Carbene Complexes’, in Inorganic Chemistry, American Chemical Society, United States., Vol. 53, pp. 3629-3641
  • Walker RM, Watkin EL, Tian R, Brau L, O’Hara GW, Goodwin L, Han J, Reddy T, Huntemann M, Pati A, Woyke T, Mavrommatis K, Markowitz V, Ivanova N, Kyrpides N, Reeve W 2014, ‘Genome sequence of the acid-tolerant Burkholderia sp. strain WSM2232 from Karijini National Park, Australia’, in Standards in Genomic Sciences, Michigan State University, US., Vol. 9, pp. 1168-1180
  • Wang CC, Becker T, Chen K, Zhao L, Wei B, Jiang S 2014, ‘Effect of temperature on the chromium deposition and poisoning of La0.6Sr0.4Co0.2Fe0.8O3-[delta] cathodes of solid oxide fuel cells’, in Electrochimica Acta, Pergamon, United Kingdom., Vol. 139, pp. 173-179
  • Watling HR, collinson D, Li J, Mutch LA, perrot F, Rea SM, reith F, Watkin EL 2014, ‘Bioleaching of a low-grade copper ore, linking leach chemistry and microbiology’, in Minerals Engineering, Elsevier, United Kingdom., Vol. 56, pp. 35-44
  • Werrett MV, Muzzioli S, Wright PJ, Palazzi A, Raiteri P, Zacchini S, Massi M, Stagni S 2014, ‘Proton-induced reversible modulation of the luminescent output of rhenium(i), iridium(iii), and ruthenium(ii) tetrazolate complexes’, in Inorganic Chemistry, American Chemical Society, United States., Vol. 53, pp. 229-243
  • Xiao W, Hu C, Carter DJ, Nichols S, Ward MD, Raiteri P, Rohl AL, Kahr B 2014, ‘Structural Correspondence of Solution, Liquid Crystal, and Crystalline Phases of the Chromonic Mesogen Sunset Yellow’, in Crystal Growth and Design, American Chemical Society, Washington DC, USA., Vol. 14, pp. 4166-4176
  • Yang T, Liu J, Zhou R, Chen Z, Xu H, Qiao SZ, Monteiro M 2014, ‘N-doped mesoporous carbon spheres as the oxygen reduction reaction catalysts’, in Journal of Materials Chemistry A, R S C Publications, United Kingdom., Vol. 2, pp. 18139-18146
  • Zeitler TR, Greathouse JA, Gale JD, Cygan RT 2014, ‘Vibrational Analysis of Brucite Surfaces and the Development of an Improved Force Field for Molecular Simulation of Interfaces’, in The Journal of Physical Chemistry C, American Chemical Society, United States., Vol. 118, pp. 7946-7953
  • Zhang L, Shi X, Liu S, Pareek VK, Liu J 2014, ‘Organic-inorganic hybrid hierarchical aluminum phenylphosphonate microspheres’, in Journal of Colloid and Interface Science, Academic Press, United States., Vol. 427, pp. 35-41
  • Zhang S, Liu L, Pareek VK, Becker T, Liang J, Liu S 2014, ‘Effects of broth composition and light condition on antimicrobial susceptibility testing of ionic silver’, in Journal of Microbiological Methods, Elsevier Inc, Reading, UK., Vol. 105, pp. 42-46
  • Zhao L, Zhang J, Becker T, Jiang S 2014, ‘Raman Spectroscopy Study of Chromium Deposition on La0.6Sr0.4Co0.2Fe0.8O3-d Cathode of Solid Oxide Fuel Cells’, in Journal of the Electrochemical Society, The Electrochemical Society, Inc, Pennington, USA., Vol. 161, pp. F687-F693

2013

  • Ennis, B., S. Muzzioli, B. Reid, D. D’Alessio, S. Stagni, D. H. Brown, M. I. Ogden, and M. Massi. 2013. Recyclable calix[4]arene-lanthanoid luminescent hybrid materials with color-tuning and color-switching properties.Dalton Transactions 42: 6894-6901.
  • Reid, B., S. B. Briggs, L. E. Karagiannidis, S. Muzzioli, P. Raiteri, M. E. Light, S. Stagni, P. Brulatti, P. A. Gale, M. I. Ogden et al. 2013. Blue emitting C2-symmetrical dibenzothiazolyl substituted pyrrole, furan and thiophene.Journal of Materials Chemistry C 1: 2209-2216.
  • Marks, N. A., D. J. Carter, M. Sassi, A. L. Rohl, K. E. Sickafus, B. P. Uberuaga, and C. R. Stanek. 2013. Chemical evolution via beta decay: a case study in strontium-90. Journal of Physics: Condensed Matter 25: 65504-65504.
  • Cui, X., A. L. Rohl, A. Shtukenberg, and B. Kahr. 2013. fTwisted Aspirin Crystals. Journal of the American Chemical Society 135: 3395-3398.
  • Carter, D. J., O. Warschkow, J. D. Gale, G. Scappucci, W. M. Klesse, G. Capellini, A. L. Rohl, M. Y. Simmons, D. R. McKenzie, and N. A. Marks. 2013. Electronic structure of phosphorus and arsenic d-doped germanium. Physical Review B 88 (11): 15203-1-15203-10.
  • O’Sullivan, S., E. A. De Eulate, Y. Yuen, E. Helmerhorst, and D. W. Arrigan. 2013. Stripping voltammetric detection of insulin at liquid-liquid microinterfaces in the presence of bovine albumin. Analyst 135 (1): 1-15.
  • O’Sullivan, S., and D. W. Arrigan. 2013.Impact of a Surfactant on the Electroactivity of Proteins at an Aqueous-Organogel Microinterface Array. Analytical Chemistry 85: 1389-1394.
  • Alvarez de Eulate, E., L. Serls, and D. W. Arrigan. 2013. Detection of haemoglobin using an adsorption approach at a liquid – liquid microinterface array. Analytical and Bioanalytical Chemistry 405: 3801-3806.
  • Arrigan, D. W. 2013. Voltammetry of proteins at liquid-liquid interfaces. Annual Reports of the Progress in Chemistry, Section “C” (Physical Chemistry) 109: 167-188.
  • De Eulate, E. A., S. O’Sullivan, S. Fletcher, P. Newsholme, and D. W. Arrigan. 2013. Ion-Transfer Electrochemistry of Rat Amylin at the Water-Organogel Microinterface Array and Its Selective Detection in a Protein Mixture. Chemistry – An Asian Journal 8 (9): 2096-2101.
  • Sairi, M., J. Strutwolf, R. A. Mitchell, D. S. Silvester, and D. W. Arrigan. 2013. Chronoamperometric response at nanoscale liquid-liquid interface arrays. Electrochimica Acta 101:177-185.
  • Lee, J., K. Murugappan, D. W. Arrigan, and D. S. Silvester. 2013. Oxygen Reduction Voltammetry on Platinum Macrodisk and Screen-Printed Electrodes in Ionic Liquids: Reaction of the Electrogenerated Superoxide Species with Compounds Used in the Paste of Pt Screen-Printed Electrodes? Electrochimica Acta 101: 158-168.
  • Nazneen, F., M. Schmidt, E. McLoughlin, N. Petkov, G. Herzog, D. W. Arrigan, and P. Galvin. 2013. Impact of Surface Nano-textured Stainless Steel Prepared by Focused Ion Beam on Endothelial Cell Growth. Journal of Nanoscience and Nanotechnology 13 (8): 5283-5290.
  • Machuca, L., S. I. Bailey, R. Gubner, E. L. Watkin, M. Ginige, and A. H. Kaksonen. 2013. Effect of oxygen and biofilm on crevice corrosion of UNS S31803 and UNS N08825 in natural seawater. Corrosion Science 67: 242-255.
  • Machuca, L., S. I. Bailey, R. Gubner, E. L. Watkin, M. Ginige, A. H. Kaksonen, and K. Heidersbach. 2013. Effect of oxygen and biofilms on crevice corrosion of UNS S31803 and UNS N08825 in natural seawater.Corrosion Science 67: 242-255.
  • Radomirovic, T., P. G. Smith, D. C. Southam, S. Tashi, and F. Jones. 2013. Crystallization of sodalite particles under Bayer-type conditions. Hydrometallurgy 137: 84-91.
  • Radomirovic, T., P. G. Smith, and F. Jones. 2013. Using absorbance as a measure of turbidity in highly caustic solutions. International Journal of Mineral Processing 118: 59-64.
  • Cheng, Z., T. Liu, C. Yang, H. Gan, J. Chen, and F. Zhang. 2013. Ab initio atomic thermodynamics investigation on oxygen defects in the anatase TiO2. Journal of Alloys and Compounds 546: 246-252.
  • Adjizian, J. J., R. Leghrib, A. A. Koos, I. Suarez-Martinez, A. Crossley, P. Wagner, N. Grobert, E. Llobet, and C.P. Ewels. 2013. Boron- and nitrogen-doped multi-wall carbon nanotubes for gas detection. Carbon 66: 662-673.
  • Suarez-Martinez, I., J. Mittal, H. Allouche, M. Pacheco, M. Monthioux, M. Razafinimanana, and C. P. Ewels. 2013. Fullerene attachment to sharp-angle nanocones mediated by covalent oxygen bridging. Carbon 54: 149-154.
  • Adjizian, J. J., R. De Marco, I. Suarez-Martinez, A. El Mel, R. Synders, R. Gengler, P. Rudolf, X. Ke, G. Van Tendeloo, C. Bittencourt et al. 2013. Platinum and palladium on carbon nanotubes: Experimental and theoretical studies. Chemical Physics Letters 571: 44-48.
  • Demichelis, R., P. Raiteri, J. D. Gale, and R. Dovesi. 2013. The Multiple Structures of Vaterite. Crystal Growth and Design13 (6): 2247-2251.
  • Stack, A. G., J. D. Gale, and P. Raiteri. 2013. Virtual Probes of Mineral-Water Interfaces: The MoreFlops, the Better! GeoScienceWorld 9 (3): 211-216.
  • Song, Q., B. Wang, K. Deng, X. Feng, M. Wagner, J. D. Gale, K. Mullen, and L. Zhi. 2013. Graphenylene, a unique two-dimensional carbon network with nondelocalized cyclohexatriene units. Journal of Materials Chemistry C1 (1): 38-41.
  • Fenter, P., S. Kerisit, P. Raiteri, and J. D. Gale. 2013. Is the calcite-water interface understood? Direct comparisons of molecular dynamics simulations with specular x-ray reflectivity data. Journal of Physical Chemistry C 117 (10): 5028-5042.
  • Carter, D. J., O. Warschkow, J. D. Gale, G. Scappucci, W. M. Klesse, G. Capellini, A. L. Rohl, M. Y. Simmons, D.R. McKenzie, and N. A. Marks. 2013. Electronic structure of phosphorus and arsenic d-doped germanium. Physical Review B 88 (11): 15203-1-15203-10.
  • Zhang, F., J. D. Gale, B. P. Uberuaga, C. R. Stanek, and N. A. Marks. 2013. Importance of dispersion in density functional calculations of cesium chloride and its related halides. Physical Review B 88 (5): 054112-1-054112-7.
  • Wallace, A. F., L. O. Hedges, A. Fernandez Martinez, P. Raiteri, J. D. Gale, G. A. Waychunas, S. Whitelam, J. F. Banfield, and J. De Yoreo. 2013. Microscopic Evidence for Liquid-Liquid Separation in Supersaturated CaCO3 Solutions. Science 341 (6148): 885-889.
  • Demichelis, R., P. Raiteri, J. D. Gale, and R. Dovesi. 2013. Examining the Accuracy of Density Functional Theory for Predicting the Thermodynamics of Water Incorporation into Minerals: The Hydrates of Calcium Carbonate. The Journal of Physical Chemistry C 117 (34): 17814-17823.
  • Southam, D. C., B. Shand, M. A. Buntine, S. H. Kable, J. R. Read, and J. C. Morris. 2013. Supporting Alternative Strategies for Learning Chemical Applications of Group Theory. Journal of Chemical Education. 14.
  • Southam, D. C., B. Shand, M. A. Buntine, S. H. Kable, J. R. Read, and J. C. Morris. 2013. The timing of an experiment in the laboratory program is crucial for the student laboratory experience: acylation of ferrocene as a case study. RSC Advances 14.
  • Qin, M. J., E. Y. Kuo, K. R. Whittle, S. C. Middleburgh, M. Robinson, N. A. Marks, and G. R. Lumpkin. 2013. Density and structural effects in the radiation tolerance of TiO 2 polymorphs. Journal of Physics: Condensed Matter 25 (35): 1-8.
  • Robinson, M., I. Suarez-Martinez, and N. A. Marks. 2013. Generalized method for constructing the atomic coordinates of nanotube caps. Physical Review B 87 (15): 155430-1-155430-8.
  • Marks, N. A., D. J. Carter, M. Sassi, A.L. Rohl, K. E. Sickafus, B. P. Uberuaga, and C. R. Stanek. 2013. Chemical evolution via beta decay: a case study in strontium-90. Journal of Physics: Condensed Matter 25: 65504-65504.
  • Vaughan, J. G., B. Reid, S. Ramchandani, P. J. Wright, S. Muzzioli, B. W. Skelton, P. Raiteri, D. H. Brown, S. Stagni, and M. Massi. 2013. The photochemistry of rhenium(I) tricarbonyl N-heterocyclic carbene complexes. Dalton Tranactions 42 (39): 14100-14114.
  • McGee, K., P. J. Wright, S. Muzzioli, C. M. Siedlovskas, P. Raiteri, M. V. Baker, D. H. Brown, S. Stagni, and M. Massi. 2013. Enhanced deep-blue emission from Pt(II) complexes bound to 2-pyridyltetrazolate and an ortho-xylene-linked bis(NHC)cyclophane. Dalton Transactions 42 (12): 4233-4236.
  • Wright, P. J., S. Muzzioli, B. W. Skelton, P. Raiteri, J. Lee, G. A. Koutsantonis, D. S. Silvester, S. Stagni, and M. Massi. 2013. One-step assembly of Re(I) tricarbonyl 2-pyridyltetrazolato metallacalix3arene with aqua emission and reversible three-electron oxidation. Dalton Transactions 42 (23): 8188-8191.
  • Reid, B., S. B. Briggs, L. E. Karagiannidis, S. Muzzioli, P. Raiteri, M. E. Light, S. Stagni, P. Brulatti, P.A. Gale, M. I. Ogden et al. 2013. Blue emitting C2-symmetrical dibenzothiazolyl substituted pyrrole, furan and thiophene. Journal of Materials Chemistry C 1: 2209-2216.
  • Wright, P. J., M. G. Affleck, S. Muzzioli, B. W. Skelton, P. Raiteri, D. S. Silvester, S. Stagni, and M. Massi. 2013. Ligand-induced structural, photophysical, and electrochemical variations in tricarbonyl rhenium(I) tetrazolato complexes. Organometallics 32 (13): 3728-3737.
  • Gauden, P. A., A. P. Terzyk, S. Furmaniak, M. Wisniewski, P. Kowalczyk, A. Bielicka, and W. Zielinski. 2013. Porosity of closed carbon nanotubes compressed using hydraulic pressure. Adsorption Science and Technology 19: 785-793.
  • Furmaniak, S., A. P. Terzyk, P. A. Gauden, P. Kowalczyk, and G. S. Szymanski. 2013. Influence of activated carbon surface oxygen functionalities on SO2 physisorption – Simulation and experiment. Chemical Physics Letters 578: 85-91.
  • Kowalczyk, P., P. A. Gauden, A. P. Terzyk, E. Pantatosaki, and G. K. Papadopoulos. 2013. Constant pressure path integral Gibbs ensemble Monte Carlo method. Journal of Chemical Theory and Computation 9 (7): 2922-2929.
  • Wisniewski, M., P. A. Gauden, A. P. Terzyk, P. Kowalczyk, A. Pacholczyk, and S. Furmaniak. 2013. Detecting adsorption space in carbon nanotubes by benzene uptake. Journal of Colloid and Interface Science 391: 74-85.
  • Furmaniak, S., P. Kowalczyk, A. P. Terzyk, P. A. Gauden, and P. Harris. 2013. Synergetic effect of carbon nanopore size and surface oxidation on CO2 capture from CO2/CH4 mixtures. Journal of Colloid and Interface Science 393: 144-153.
  • Furmaniak, S., A. P. Terzyk, P. A. Gauden, P. Kowalczyk, P. J. Harris, and S. Koter. 2013. Applicability of molecular simulations for modelling the adsorption of the greenhouse gas CF4 on carbons. Journal of Physics: Condensed Matter 25: 15004-15004.
  • Kowalczyk, P., P. A. Gauden, A. P. Terzyk, and A. V. Neimark. 2013. Screening of carbonaceous nanoporous materials for capture of nerve agents. Physical Chemistry Chemical Physics 15: 291-298.
  • Furmaniak, S., A. P. Terzyk, K. Kaneko, P. A. Gauden, P. Kowalczyk, and T. Itoh. 2013. The first atomistic modelling-aided reproduction of morphologically defective single walled carbon nanohorns. Physical Chemistry Chemical Physics 15: 1232-1240.
  • Sauzier, G., M. Maric, W. Van Bronswijk, and S. W. Lewis. 2013. Preliminary studies into the effect of environmental degradation on the characterisation of automotive clear coats by attenuated total reflectance infrared spectroscopy. Analytical Methods 5 (19): 4984-4990.
  • Fritz, P., W. Van Bronswijk, and S. W. Lewis. 2013. p-Dimethylaminobenzaldehyde: preliminary investigations into a novel reagent for the detection of latent fingermarks on paper surfaces. Analytical Methods 5 (13): 3207-3215.
  • Maric, M., W. Van Bronswijk, S. W. Lewis, K. Pitts, and D. E. Martin. 2013. Characterisation of chemical component migration in automotive paint by synchrotron infrared imaging. Forensic Science International 228: 165-169.
  • Zadnik, S., W. Van Bronswijk, A. A. Frick, P. Fritz, and S. W. Lewis. 2013. Fingermark Simulants and Their Inherent Problems: A Comparison with Latent Fingermark Deposits. Journal of Forensic Identification 63 (5): 593-608.
  • Frick, A. A., P. Fritz, S. W. Lewis, and W. Van Bronswijk. 2013. Sequencing of a Modified Oil Red O Development Technique for the Detection of Latent Fingermarks on Paper Surfaces. Journal of Forensic Identification63 (4): 369-385.
  • Fritz, P., W. Van Bronswijk, K. Lepkova, S. W. Lewis, K. F. Lim, D. E. Martin, and L. Puskar. 2013. Infrared microscopy studies of the chemical composition of latent fingermark residues. Microchemical Journal 3: 40-46.
  • Ho, D., S. A. Peerzade, T. Becker, S. Hodgetts, A. R. Harvey, G. W. Plant, R. C. Woodward, I. Luzinov, T. G. St Pierre, and K. S. Iyer. 2013. Magnetic field directed fabrication of conducting polymer nanowires. Chemical Communications 49 (64): 7138-7140.
  • Ding, A., L. Yang, S. Fan, and X. Lou. 2013. Reversible methane storage in porous hydrogel supported clathrates. Chemical Engineering Science 96: 124-130.
  • Feng, X., S. Zhang, and X. Lou. 2013. Controlling silica coating thickness on TiO2 nanoparticles for effective photodynamic therapy. Colloids and Surfaces B: Biointerfaces 107: 220-226.
  • Raiteri, R. Demichelis, and J. D. Gale. “Development of accurate force fields for the simulation of biomineralisation“ Methods in Enzymology 532, Chap. 1, pp. 3-23 DOI: 10.1016/B978-0-12-416617-2.00001-1

2012

  • R. Mead-Hunter, A. Bredin, A.J.C. King, A.V. Larcher, T. Becker and B.J. Mullins. 2012. The influence of soot nanoparticles on the micro/macro-scale behaviour of coalescing filters. Chem. Eng. Sci. 84: 113-119.
  • S.M. Paterson, A.M.A. Shadforth, D.H. Brown, P.W. Madden, T.V. Chirila and M.V. Baker. 2012. The synthesis and degradation of collagenase-degradable poly(2-hydroxyethyl methacrylate)-based hydrogels and sponges for potential applications as scaffolds in tissue engineering. Mat. Sci. Eng. C 32(8): 2536-2544.
  • I. Suarez-Martinez and N.A. Marks. 2012. Amorphous carbon nanorods as a precursor for carbon nanotubes. Carbon 50(15): 5441-5449.
  • Z.E. Hughes, C.J. Shearer, J. Shapter and J.D. Gale. 2012. Simulation of Water Transport Through Functionalized Single-Walled Carbon Nanotubes (SWCNTs). J. Phys. Chem. C 116(47): 24943-24953.
  • E.A. de Eulate, D.S. Silvester and D.W.M. Arrigan. 2012. Behavior of Lysozyme at the Electrified Water/Room Temperature Ionic Liquid Interface. Chemistry – an Asian Journal 7(11): 2559-2561.
  • M. Robinson, N.A. Marks and G.R. Lumpkin. 2012. Sensitivity of the threshold displacement energy to temperature and time. Phys. Rev. B 86(13): 134105.
  • L. Glasser. 2012. Simple Route to Lattice Energies in the Presence of Complex Ions. Inorg. Chem. 51(19): 10306-10310.
  • F. Nazneen, G. Herzog, D.W.M. Arrigan, N. Caplice, P. Benvenuto, P. Galvin and M. Thompson. 2012. Surface chemical and physical modification in stent technology for the treatment of coronary artery disease. J. Biomed. Mater. Res. B 100(7): 1989-2014.
  • M. Sohail, R. de Marco, K. Lamb and E. Bakker. 2012. Thin layer coulometric determination of nitrate in fresh waters. Anal. Chim. Acta 744: 39-44.
  • P. Kowalczyk, P.A. Gauden and A.P. Terzyk. 2012. Cryogenic Noble Gas Separation without Distillation: The Effect of Carbon Surface Curvature on Adsorptive Separation. J. Phys. Chem. C 116(36): 19363-19371.
  • S. O’Sullivan and D.W.M. Arrigan. 2012. Electrochemical behaviour of myoglobin at an array of microscopic liquid-liquid interfaces. Electrochim. Acta 77: 71-76.
  • A.C. Buckley, D.J. Carter, D.A. Sheppard and C.E. Buckley. 2012. Density Functional Theory Calculations of Magnesium Hydride: A Comparison of Bulk and Nanoparticle Thermodynamics. J. Phys. Chem. C 116(33): 17985-17990.
  • F. Zhang and K. Wright. 2012. Lithium defects and diffusivity in forsterite. Geochim. Cosmochim. Acta 91: 32-39.
  • Y. Ding, J. Xu, Z. Pan, H. Zhou and X. Lou. 2012. Structure, magnetic property and DNA cleavage ability of heterometal (Mn2Ni2II)-Ni-III complex with ONO tridentate ligands. Inorg. Chem. Commun. 22: 40-43.
  • G. Herzog, S. Flynn, C. Johnson and D.W.M. Arrigan. 2012. Electroanalytical Behavior of Poly-L-Lysine Dendrigrafts at the Interface between Two Immiscible Electrolyte Solutions. Anal. Chem. 84(13): 5693-5699.
  • P. Kowalczyk, P.A. Gauden, A.P. Terzyk, S. Furmaniak and P.J.F. Harris. 2012. Displacement of Methane by Coadsorbed Carbon Dioxide Is Facilitated In Narrow Carbon Nanopores. J. Phys. Chem. C 116(25): 13640-13649.
  • D.J. Carter, M. Fuchs and C. Stampfl. 2012. Vacancies in GaN bulk and nanowires: effect of self-interaction corrections. J. Phys. Cond. Matter 24(25): 255801.
  • S. Casassa and R. Demichelis. 2012. Relative Energy of Aluminum Hydroxides: The Role of Electron Correlation. J. Phys. Chem. C 116(24): 13313-13321.
  • M. Wisniewski, S. Furmaniak, P. Kowalczyk, K.M. Werengowska and G. Rychlicki. 2012. Thermodynamics of benzene adsorption on oxidized carbon nanotubes – experimental and simulation studies. Chem. Phys. Lett. 538: 93-98.
  • L. Glasser and H.D.B. Jenkins. 2012. Single-Ion Heat Capacities, Cp(298)(ion), of Solids: with a Novel Route to Heat-Capacity Estimation of Complex Anions. Inorg. Chem. 51(11): 6360-6366.
  • C.R. Stanek, B.P. Uberuaga, B.L. Scott, R.K. Feller and N.A. Marks. 2012. Accelerated chemical aging of crystalline nuclear waste forms. Curr. Opin. Sol. St. Mat. Sci. 16(3): 126-133.
  • Q. Gu, L. Gao, Y. Gao, Y. Tan, Z. Tang, K.S. Wallwork, F. Zhang and X. Yu. Structure and decomposition of zinc borohydride ammonia adduct: towards a pure hydrogen release. Energy Environ. Sci. 5(6): 7590-7600.
  • S. Furmaniak, A.P. Terzyk, P.A. Gauden and P. Kowalczyk. 2012. Simulation of SF6 adsorption on the bundles of single walled carbon nanotubes. Micro. Meso. Mater. 154: 51-55.
  • B.A. Fairchild, S. Rubanov, D.W.M. Lau, M. Robinson, I. Suarez-Martinez, N.A. Marks, A.D. Greentree, D. McCulloch and S. Prawer. 2012. Mechanism for the Amorphisation of Diamond. Adv. Mater. 24(15): 2024-2029.
  • D.S. Silvester, S. Uprety, P.J. Wright, M. Massi, S. Stagni and S. Muzzioli. 2012. Redox Properties of a Rhenium Tetrazolato Complex in Room Temperature Ionic Liquids: Assessing the Applicability of the Stokes-Einstein Equation for a Metal Complex in Ionic Liquids. J. Phys. Chem. C 116(13): 7327-7333.
  • D.J. Carter, A.L. Rohl, A. Shtukenberg, S. Bian, C. Hu., L. Baylon, B. Kaher, H. Mineko, K. Abe, T. Kawasaki and K. Soai. 2012. Prediction of Soai Reaction Enantioselectivity Induced by Crystals of N-(2-Thienylcarbonyl)glycine. Cryst. Growth Des. 12(4): 2138-2145.
  • F. Nazneen, P. Galvin, D.W.M. Arrigan, M. Thompson, P. Benvenuto and G. Herzog. 2012. Electropolishing of medical-grade stainless steel in preparation for surface nano-texturing. J. Sol. St. Electrochem. 16(4): 1389-1397.
  • M. Sassi, B.P. Uberuaga, C.R. Stanek and N.A. Marks. 2012. Transmutation in (SrF2)-Sr-90: A density functional theory study of phase stability in ZrF2. Phys. Rev. B 85(9): 094104.
  • M. Robinson, N.A. Marks, K.R. Whittle and G.R. Lumpkin. 2012. Systematic calculation of threshold displacement energies: Case study in rutile. Phys. Rev. B 85(10): 104105.
  • E.A. de Eulate and D.W.M. Arrigan. 2012. Adsorptive Stripping Voltammetry of Hen-Egg-White-Lysozyme via Adsorption-Desorption at an Array of Liquid-Liquid Microinterfaces. Anal. Chem. 84(5): 2505-2511.
  • I. Suarez-Martinez, N. Grobert and C.P. Ewels. 2012. Nomenclature of sp(2) carbon nanoforms. Carbon 50(3): 741-747.
  • R. Mead-Hunter, T. Bergen, T. Becker, R.A. O’Leary, G. Kasper and B.J. Mullens. 2012. Sliding/Rolling Phobic Droplets along a Fiber: Measurement of Interfacial Forces. Langmuir 28(7): 3483-3488.
  • L. Glasser. 2012. Solid-State Energetics and Electrostatics: Madelung Constants and Madelung Energies. Inorg. Chem. 51(4): 2420-2424.
  • N.A. Marks, M. Lattemann and D.R. McKenzie. 2012. Nonequilibrium Route to Nanodiamond with Astrophysical Implications. Phys. Rev. Lett. 108(7): 075503.
  • D.J. Carter, B. Kahr and A.L. Rohl. 2012. Computational methodology for chirality determination in the Soai reaction by crystals: gamma-glycine. Theo. Chem. Acc. 131(2): 1125.
  • R. Demichlis, H. Suto, Y. Noel, H. Sogawa, T. Naoi, C. Koike, H. Chihara, N. Shimobayashi, M. Ferrabone and R. Dovesi. 2012. The infrared spectrum of ortho-enstatite from reflectance experiments and first-principle simulations. Month. Notices Roy. Astro. Soc. 420(1): 147-154.
  • Z. Cheng, T. Liu, C. Yang. H. Gan, F. Zhang and J. Chen. 2012. Study on the electronic structures of the reduced anatase TiO2 by the first-principle calculation. J. Phys. Chem. Sol. 73(2): 302-307.
  • A. Zobelli, V. Ivanovskava, P. Wagner, I. Suarez-Martinez, A. Yava and C.P. Ewels. 2012. A comparative study of density functional and density functional tight binding calculations of defects in graphene, Phys. Stat. Solid. B 249(2): 276-282.
  • F. Zhang and K. Wright. 2012. Coupled (Li+, Al3+) substitutions in hydrous forsterite. Am. Miner. 97(2-3): 425-429.
  • P. Kowalczyk, S. Furmaniak, P.A. Gauden and A.P. Terzyk. 2012. Methane-Induced Deformation of Porous Carbons: From Normal to High-Pressure Operating Conditions. J. Phys. Chem. C 116(2): 1740-1747.
  • J.H.E. Cartwright, A.G. Checa, J.D. Gale, D. Gebauer and C.I. Sainz-Diaz. 2012. Calcium Carbonate Polyamorphism and Its Role in Biomineralization: How Many Amorphous Calcium Carbonates Are There?. Angewandte Chem. Int. Ed. 51(48): 11960-11970.
  • P. Raiteri, R. Demichelis, J.D. Gale, M. Kellermeier, D. Gebauer, D. Quigley, L.B. Wright and T.R. Walsh. 2012. Exploring the influence of organic species on pre- and post-nucleation calcium carbonate Faraday Disc. 159: 61-85.
  • D. Arbeck, E. Haussuehl, V.L. Vinograd, B. Winkler, N. Paulsen, S. Haussuehl, V. Milman and J.D. Gale. 2012. Elastic stiffness coefficients of thenardite and their pressure and temperature dependence. Z. Krist. 227(8): 503-513.
  • S.M. Paterson, D.H. Brown, J.A. Shaw, T.V. Chirila and M.V. Baker. 2012. Synthesis of Poly(2-Hydroxyethyl Methacrylate) Sponges via Activators Regenerated by Electron-transfer Atom-transfer Radical Polymerization. Aus. J. Chem. 65(7): 931-934.
  • P.K. Eggers, T. Becker, M.K. Melvin, R.A. Boulos, E. James, N. Morellini, A.R. Harvey, S.A. Dunlop, M. Fitzgerald, K.A. Stubbs and C.L. Raston. 2012. Composite fluorescent vesicles based on ionic and cationic amphiphilic calix[4]arenes. RSC Adv. 2(15): 6250-6257.
  • J.-P. Veder, A. Nafady, G. Clarke, R. de Marco and A.M. Bond. 2012. A Combined Voltammetric and Synchrotron RadiationGrazing Incidence X-ray Diffraction Study of the Electrocrystallization of Zinc Tetracyanoquinodimethane. Aus. J. Chem. 65(3): 236-240.
  • J.S. Ellis, J. Strutwolf and D.W.M. Arrigan. 2012. Finite-element simulations of the influence of pore wall adsorption on cyclic voltammetry of ion transfer across a liquid-liquid interface formed at a micropore. Phys. Chem. Chem. Phys. 14(7): 2494-2500.
  • P. Kowalczyk. 2012. Molecular insight into the high selectivity of double-walled carbon nanotubes. Phys. Chem. Chem. Phys. 14(8): 2784-2790.
  • L.G. Dyer, K.W. Chapman, P. English, M. Saunders and W.R. Richmond. 2012 Insights into the crystal and aggregate structure of Fe3+ oxide/silica co-precipitates. Am. Miner. 97(1): 63-69.
  • A. Baynton, M.I. Ogden, C.L. Raston and F. Jones. 2012. Barium sulfate crystallization dependence on upper rim calix[4]arene functional groups. CrystEngComm 14(3): 1057-1062.
  • D.J. Carter and A.L. Rohl. 2012. Noncovalent Interactions in SIESTA Using the vdW-DF Functional: S22 Benchmark and Macrocyclic Structures. J. Chem. Theory Comp. 8(1): 281-289.
  • L. Glasser. 2012. Volume-based thermoelasticity: Thermal expansion coefficients and the Gruneisen ratio. J. Phys. Chem. Sol. 73(1): 139-141.
  • CR Stanek, BP Uberuaga, BL Scott, RK Feller, and NA Marks, Accelerated Chemical Aging of Crystalline Nuclear Waste Forms, Current Opinion in Solid State and Materials Science, in press [Invited Article]
  • M Sassi, BP Uberuaga, CR Stanek, and NA Marks, Transmutation in 90SrF2: a density-functional-theory study of phase stability in ZrF2, Physical Review B, in press.
  • M Robinson, NA Marks, KR Whittle, and GR Lumpkin, Systematic calculation of threshold displacement energies: A case study in rutile, Physical Review B, in press.
  • BA Fairchild, S Rubanov, DWM Lau, M Robinson, I Suarez-Martinez, NA Marks, AD Greentree, DG McCulloch and S Prawer, Mechanisms for the amorphisation of diamond, Advanced Materials, in press.
  • NA Marks, M Lattemann and DR McKenzie, Non-equilibrium route to nanodiamond with astrophysical implications, Physical Review Letters, 108, 075502 (2012).
  • D. Spagnoli and J.D. Gale, “Atomistic theory and simulation of the morphology and structure of ionic nanoparticles”, Nanoscale, 4, 1051-1067 (2012)
  • A.G. Stack, P. Raiteri and J.D. Gale, “Accurate rates of the complex mechanisms for growth and dissolution of minerals using a combination of rare-event theories”, J. Am. Chem. Soc., 134, 11-14 (2012)
  • R. Demichelis, P. Raiteri, J.D. Gale and R. Dovesi, “A new structural model for disorder in vaterite from first-principles calculations”, CrystEngComm, 14, 44-47 (2012)
  • Z.E. Hughes and J.D. Gale, “Molecular dynamics simulations of the interactions of potential foulant molecules and a reverse osmosis membrane”, J. Mater. Chem., 22, 175-184 (2012)

2011

  • K. Murugappan, J. Lee, D.S. Silvester, Comparative study of screen printed electrodes for ammonia gas sensing in ionic liquids. Electrochemistry Communications. 13 (12): pp. 1435-1438.
  • D.S. Silvester, Recent advances in the use of ionic liquids for electrochemical sensing. Analyst, 2011, 136, 4871.
  • I Suarez-Martinez and NA Marks, Effect of microstructure on the thermal conductivity of disordered carbon, Applied Physics Letters, 99, 033101 (2011).
  • S Furmaniak, AP Terzyk, PA Gauden, NA Marks, RC Powles, and P Kowalczyk, Simulating the changes in carbon structure during the burn-off process, Journal of Colloid & Interface Science, 360, 211-219 (2011)
  • S Sperinck, P Raiteri, N Marks, and K Wright, Dehydroxylation of kaolinite to metakaolin – a molecular dynamics study, Journal of Materials Chemistry, 21, 2118-2125 (2011).
  • R.T. Chester, D. Couton, R. Lobler, M. Mocerino, M.I. Ogden, J.K. Pettersen, B.W. Skelton and A.H. White, J. Inc. Phenom., 71, 471-477 (2011).
  • L.E. Karagiannidis, P.A. Gale. M.E. Light, M. Massi and M.I. Ogden, Dalton Trans., 40, 12097-12105 (2011).
  • R. Demichelis, P. Raiteri, J.D. Gale, D. Quigley and D. Gebauer, “Stable prenucleation mineral clusters are liquid-like ionic polymers”, Nature Comm., 2:590 doi: 10.1038/ncomms1604 (2011)
  • A. Bilic, J.D. Gale and S. Sanvito, “From fused aromatics to graphene-like nanoribbons: The effects of multiple terminal groups, length and symmetric pathways on charge transport”, Phys. Rev. B., 84, 205436 (2011)
  • L. Glasser, H. D. B.Jenkins, Ambient isobaric heat capacities, C p, m, for ionic solids and liquids: An application of volume-based thermodynamics (VBT). Inorg. Chem. 50 (17), 8565-8569 10.1021/ic201093p (2011)
  • A. Ciccioli, L. Glasser, Complexities of one-component phase diagrams. J. Chem. Educ. 88 (5), 586-591 (2011)
  • L. Glasser, Thermodynamics of condensed phases: Formula unit volume, Vm, and the determination of the number of formula units, Z, in a crystallographic unit cell. J. Chem. Educ. 88 (5), 581-585 (2011)
  • L. Glasser, H. D. B. Jenkins, Volume-based thermodynamics: A prescription for its application and usage in approximation and prediction of thermodynamic data. J. Chem. Eng. Data 56 (4), 874-880 (2011)
  • S. Basavaraj, H. A. E. Benson, C. Cruickshank, D. H. Brown and Y. Chen, Rapid Commun. Mass Spectrom., 25, 1543-1551 (2011)
  • A. Baynton, B. D. Chandler, F. Jones, G. Nealon, M. I. Ogden, T. Radomirovic, G. K. H. Shimizu and J. M. Taylor, CrystEngComm, 13, 1090-1095 (2011)
  • A. Baynton, T. Radomirovic, M. I. Ogden, C. L. Raston, W. R. Richmond and F. Jones, CrystEngComm, 13, 109-112 (2011)
  • V. Beni, G. Collins and D. W. M. Arrigan, Anal. Chim. Acta, 699, 127-133 (2011)
  • Z. Cai, J. Teng, Z. Xiong, Y. Li, Q. Li, X. Lu and X. S. Zhao, Langmuir, 27, 5157-5164 (2011)
  • D. J. Carter, N. A. Marks, O. Warschkow and D. R. McKenzie, Nanotechnology, 22 (2011)
  • C. J. Collins, J. Strutwolf and D. W. M. Arrigan, Electrophoresis, 32, 844-849 (2011)
  • K. Dawson, J. Strutwolf, K. P. Rodgers, G. Herzog, D. W. M. Arrigan, A. J. Quinn and A. O’Riordan, Anal. Chem., 83, 5535-5540 (2011)
  • C. R. Driscoll, B. L. Reid, M. J. McIldowie, S. Muzzioli, G. L. Nealon, B. W. Skelton, S. Stagni, D. H. Brown, M. Massi and M. I. Ogden, Chem. Commun., 47, 3876-3878 (2011)
  • C. Eiserbeck, R. K. Nelson, K. Grice, J. Curiale, C. M. Reddy and P. Raiteri, J. Chromatogr. A, 1218, 5549-5553 (2011)
  • C. Y. Goh, T. Becker, D. H. Brown, B. W. Skelton, F. Jones, M. Mocerino and M. I. Ogden, Chem. Commun., 47, 6057-6059 (2011)
  • G. Herzog, M.-T. Nolan and D. W. M. Arrigan, Electrochem. Commun., 13, 723-725 (2011)
  • J. Li, W. Zheng, Y. Zheng and X. Lou, Science China – Life Sciences, 54, 366-371 (2011)
  • Z. X. Meng, X. X. Xu, W. Zheng, H. M. Zhou, L. Li, Y. F. Zheng and X. Lou, Colloids and Surfaces B – Biointerfaces, 84, 97-102 (2011)
  • T. Radomirovic, M. I. Ogden and F. Jones, J. Cryst. Growth, 321, 78-84 (2011)
  • M. D. Scanlon and D. W. M. Arrigan, Electroanalysis, 23, 1023-1028 (2011)
  • D. S. Silvester and D. W. M. Arrigan, Electrochem. Commun.13, 477-479 (2011)
  • P. V. Simpson, B. W. Skelton, D. H. Brown and M. V. Baker, Eur. J. Inorg. Chem., 1937-1952 (2011)
  • F. Su, C. K. Poh, J. S. Chen, G. Xu, D. Wang, Q. Li, J. Lin and X. W. Lou, Energy & Environmental Science, 4, 717-724 (2011)
  • Y. Wan, Z. Cai, Q. Li and X. S. Zhao, Applied Physics a-Materials Science & Processing, 102, 373-377 (2011)
  • X. X. Xu, J. X. Zhang, F. Guo, W. Zheng, H. M. Zhou, B. L. Wang, Y. F. Zheng, Y. B. Wang, Y. Cheng, X. Lou and B. Z. Jang, Colloids and Surfaces B – Biointerfaces, 84, 427-432 (2011)
  • C. M. Zammit, L. A. Mutch, H. R. Watling and E. L. J. Watkin, Hydrometallurgy108, 87-92 (2011)
  • L. Zhang, Q. Li, S. Liu, M. Ang, M. O. Tade and H.-C. Gu, Adv. Powder Technol., 22, 532-536 (2011)
  • P. Raiteri, J.D. Gale and G. Bussi, “Reactive force field simulation of proton diffusion in BaZrO3 using an empirical valence bond approach”, J. Phys. Cond. Matter, 23, 334213 (2011)
  • Z.E. Hughes, L. Carrington, P. Raiteri and J.D. Gale, “A computational investigation into the suitability of purely siliceous zeolites as reverse osmosis membranes”, J. Phys. Chem. C, 115, 4063-4075 (2011)
  • M.V. Werrett, D. Chartrand, J.D. Gale, G.S. Hanan, J.G. MacLellan, M. Massi, S. Muzzioli, P. Raiteri, B.W. Skelton, M. Silberstein and S. Stagni, “Synthesis, structural, and photophysical investigation of diimine triscarbonyl Re(I) tetrazolato complexes”, Inorg. Chem., 50, 1229-1241 (2011)
  • Demichelis, Y. Noël, P. Ugliengo, C. M. Zicovich-Wilson, and R. Dovesi. “Physico-Chemical Features of Aluminum Hydroxides As Modeled with 2 the Hybrid B3LYP Functional and Localized Basis Functions.” Journal of Physical Chemistry C 115 (27): 13107-13134. DOI: 10.1021/jp200523x 
  • Demichelis, Y. Noël, P. D’Arco, M. Rérat, C. M. Zicovich-Wilson, and R. Dovesi. “Properties of carbon nanotubes: an ab initio study using large Gaussian basis sets and various DFT functionals.” Journal of Physical Chemistry C 115 (18): 8876-8885.DOI: 10.1021/jp110704x

2010

  • D.S. Silvester, E. Grygolowicz-Pawlak, E. Bakker, Potentiometric determination of coextraction constants of potassium salts in ion-selective electrodes utilizing a nitrobenzene liquid membrane phase. Analytica Chimica Acta. 683 (1): pp. 92-95.
  • L. E. Barrosse-Antle, A. M. Bond, R. G. Compton, A. M. O’Mahony, E. I. Rogers, D. S. Silvester, Voltammetry in Room Temperature Ionic Liquids: Comparisons and Contrasts with Conventional Electrochemical Solvents. Chemistry – An Asian Journal. 5 (2): pp. 202-230.
  • J.P. Veder, K. Patel, G. Clarke, E. Grygolowicz-Pawlak, D.S. Silvester, R. De Marco, E. Pretsch, E. Bakker, Synchrotron Radiation/Fourier Transform-Infrared Microspectroscopy Study of Undesirable Water Inclusions in Solid-Contact Polymeric Ion-Selective Electrodes. Anal. Chem., 2010, 82 (14), pp 6203–6207.
  • H.D.B Jenkins, J. Lee and L. Glasser, Volume-based thermoelasticity: Consequences of the (Near) proportionality of isothermal compressibility to formula-unit volume. Inorg. Chem. 49 (21), 9978-9984.(2010)
  • H.D.B Jenkins, L. Glasser and J. F. Liebman, The thermodynamic hydrate difference rule (HDR) applied to salts of carbon-containing oxyacid salts and their hydrates: Materials at the inorganic – Organic interface. J. Chem. Eng. Data 55 (10), 4369-4371. (2010)
  • H.D.B Jenkins and L. Glasser, Thermodynamic difference rules: A prescription for their application and usage to approximate thermodynamic data. J. Chem. Eng. Data 55 (10), 4231-4238.(2010)
  • P. Raiteri and J.D. Gale, “Water is the Key to Non-Classical Nucleation of Amorphous Calcium Carbonate”, J. Am. Chem. Soc., 132, 17623-17634 (2010)
  • F. Zhang, A.M. Walker, K. Wright and J.D. Gale, “Defects and dislocations in MgO: Atomic scale models of impurity segregation and fast pipe diffusion”, J. Mater. Chem., 20, 10445 (2010)
  • A. Walker, B. Civalleri, B. Slater, C. Mellot-Draznieks, F. Cora, C. Zicovich-Wilson, G. Roman, J.M. Soler and J.D. Gale, “Flexibility in a metal-organic framework material controlled by weak dispersion forces: The bistability of MIL-53(Al)”, Angew. Chim Int. Ed., 49, 7501-7503 (2010)
  • R. Devanathan, W.J. Weber and J.D. Gale, “Radiation tolerance of ceramics – insights from atomistic simulation of damage accumulation in pyrochlores”, Energy Environ. Sci., 3, 1551-1559 (2010)
  • VL Vinograd, OG Safonov, DJ Wilson, LL Perchuck, L Bindi, JD Gale, B Winkler (2010), “Atomistic model of diopside-K-jadeite (CaMgSi2O6-KAlSi2O6) solid solution”, Petrology, 18, pp 447-459.
  • SM Paterson, DH Brown, TV Chirila, I Keen, AK Whittaker, MV Baker (2010), “The synthesis of water-soluble PHEMA via ARGET ATRP in protic media”, Journal of Polymer Science: Part A: Polymer Chemistry, 48, pp 4084-4092.
  • C Merten, KJ Jalkanen, VC Weiss, A Hartwig (2010) “Vibrational circular dichroism of 3-(trifluoroacetyl)-camphor and its interaction with chiral amines”, Chirality, 22, pp 772-777.
  • M Mcildowie, MN Gandy, BW Skelton, JM Brotchie, GA Koutsantonis, MA Spackman, MJ Piggott (2010) “Physical and crystallographic characterization of the mGlu5 antagonist MTEP and its monohydrochloride”, Journal of Pharmaceutical Sciences, 99, pp 234-246.
  • E Patton, DH Brown, SW Lewis (2010) “Detection of latent fingermarks on thermal printer paper by dry contact with 1,2-indanedione”, Analytical Methods, 2, pp 631-637.
  • Z.E. Hughes and J.D. Gale, “A computational investigation of the properties of a reverse osmosis membrane”, J. Mater. Chem. 20, 7788-7799 (2010)
  • B. Devine, I. Jang, T. Kemper, D. Lee, J.D. Gale, N. Iordanova and S.B. Sinnott, “Multilevel computational analysis of flurocarbon polyatomic deposition on diamond”, J. Phys. Chem. C, 114, 12535-12544 (2010)
  • F Jones, MI Ogden (2010), “Controlling crystal growth with modifiers” invited review article to CrystEngComm, (DOI: 10.1039/B918849E).
  • MJ McIldowie, M Mocerino, MI Ogden (2010), “A brief review of Cn-symmetric calixarenes and resorcinarenes”, Supramolecular Chemistry, 22, pp 13-39.
  • KV Wright, JD Gale (2010), “A first principles study of the distribution of iron in sphalerite”, Geochimica et Cosmochimica Acta, 74, pp 3514-3520.
  • J Jiang, Y Zhang, WR Richmond, H Wang (2010), “Processing technologies for gold-telluride ores”, International Journal of Minerals, Metallurgy and Materials, 17, 1-10.
  • PG Karamertzanis, P Raiteri, A Galindo (2010), “The use of anisotropic potentials in modeling water and free energies of hydration”, Journal of Chemical Theory and Computation, 6, pp 1590-1607.
  • U Aschauer, D Spagnoli, P Bowen, SC Parker (2010), “Growth modification of seeded calcite using carboxylic acids: atomistic simulations”, Journal of Colloid and Interface Science, 346, pp 226-231.
  • L Swann, SL Forbes, SW Lewis (2010), “A capillary electrophoresis method for the determination of selected biogenic amines and amino acids in mammalian decomposition fluid”, Talanta, 81, pp 1697-1702.
  • JD Gale, KV Wright (2010), “Lattice dynamics from force-fields as a technique for mineral physics”, Reviews in Mineralogy and Geochemistry, 71, pp 391-411.
  • L Glasser (2010), Volume-based thermoelasticity: compressibility of inorganic solids, Inorganic Chemistry, 49, pp 3424-3427.
  • L Glasser (2010), Volume-based thermoelasticity: compressibility of Mineral–Structured Materials, J. Phys. Chem. C, 114, pp 11248-51.
  • A Bilic, Z Crljen, B Gumhalter, JD Gale, I Rungger, S Sanvito (2010), “Conductance of a phenylene-vinylene molecular wire: Contact gap and tilt angle dependence”, Physical Review B, 81, pp 1551011-1551018.
  • P Raiteri, JD Gale, D Quigley, PM Rodger (2010), “Derivation of an accurate force-field for simulating the growth of calcium carbonate from aqueous solution: a new model for the calcite-water interface”, Journal of Physical Chemistry, 114, pp 5997-6010.
  • MV Baker, DH Brown, RA Haque, BW Skelton, AH White (2010), “A new binding geometry for an ortho-xylylene-linked bis(NHC)cyclophane: a ruthenium(II) complex with a chelating (g1-NHC)2:g6-arene ligand”, Dalton Transactions, 39, pp 70-72.
  • D Spagnoli, K Refson, KV Wright, JD Gale (2010), “Density functional theory study of the relative stability of the iron disulfide polymorphs pyrite and marcasite”, Physical Review B, 81, pp 0941061-0941069.
  • L Swann, GE Chidlow, S Forbes, SW Lewis (2010), “Preliminary studies into the characterization of chemical markers of decomposition for geoforensics”, Journal of Forensic Sciences, 55, pp 308-314.
  • DS Silvester, E Grygolowicz-Pawlak, E Bakker (2010), “Assessing ion-exchange properties and purity of lipophilic electrolytes by potentiometry and spectrophotometry”, Electrochemistry Communications, 12, pp 110-113.
  • F Zhang, AR Organov (2010), “Iron silicides at pressures of the Earth‘s inner core”, Geophysical Research Letters, 37, pp 1-4.
  • G Herzog, A Roger, D Sheehan, DWM Arrigan (2010), “Ion-transfer voltammetric behavior of protein digests at liquid|liquid interfaces”, Analytical Chemistry, 82, pp 258-264.

2009

  • L Glasser (2009) Equations of state and phase diagrams of ammonia. J. Chem. Educ. , 86 (12), 1457-1458.
  • L Glasser (2009) “Systematic thermodynamics of magnéli-phase and other metal oxides”, Inorganic Chemistry, 48, pp 10289-10294.
  • S Wang, SM Mahali, A McGuiness, X Lou (2009) “Mathematical models for estimating effective diffusion parameters of spherical drug delivery devices”, Theoretical Chemistry Accounts, 125, no page numbers.
  • A Budi, DJ Henry, JD Gale, I Yarovsky (2009) “Comparison of embedded atom method potentials for small aluminium cluster simulations”, Journal of Physics: Condensed Matter, 21, pp 1-12.
  • A Bilic, JD Gale (2009) “Ground state structure of BaZrO3: a comparative first-principles study”, Physical Review B, 79, pp 1741071-1741079.
  • M Bonomi, D Branduardi, G Bussi, C Camilloni, D Provasi, P Raiteri, D Donadio, F Marinelli, F Pietrucci, RA Broglia, M Parrinello (2009) “PLUMED: a portable plugin for free-energy calculators with molecular dynamics”, Computer Physics Communications, 180, pp 1961-1972.
  • MV Baker, DH Brown, RA Haque, BW Skelton, AH White (2009) “Silver(I) and mercury(II) complexes of meta- and para-xylyl linked bis (imidazol-2-ylidenes)”, Journal of Inclusion Phenomena and Macrocyclic Chemistry, 65, pp 97-109.
  • K Dudek, F Jones, T Radomirovic, P Smith (2009) “The effect of anatase, rutile and sodium titanate on the dissolution of boehmite and gibbsite at 90 degrees”, International Journal of Mineral Processing, 93, pp 135-140.
  • D Spagnoli, B Gilbert, GA Waychunas, JF Banfield (2009) “Prediction of the effects of size and morphology on the structure of water around hermatite nanoparticles”, Geochemica Et Cosmochimica Acta, 73, pp 4023-4033.
  • JG Hockridge, F Jones, M Loan, WR Richmond (2009) “An electron microscopy study of the crystal growth of schwertmannite needles through oriented aggregation of goethite crystals”, Journal of Crystal Growth, 311, pp 3876-3882.
  • N Chen-Tan, A Van Riessen, CY Ly, DC Southam (2009) “Determining the reactivity of a fly ash for production of geopolymer”, Journal of the American Ceramic Society, 92, pp 881-887.
  • C Jiang, CR Stanek, NA Marks, KE Sickafus, BP Uberuaga (2009) “Predicting from first principles the chemical evolution of crystalline compounds due to radioactive decay: the case of the transformation of CsCI to BaCI”, Physical Review B, 79, pp 1321101-1321104.
  • DH Brown, G Nealon, PV Simpson, BW Skelton, Z Wang (2009) “Silver and palladium complexes of a bis(benzimidazolin-2-ylidene)pyridine pincer ligand”, Organometallics, 28, pp 1965-1968.
  • GA Carter, MR Rowles, MI Ogden, RD Hart, CE Buckley (2009) “Industrial precipitation of zirconyl chloride: the effect of pH and solution concentration on calcination of zirconia”, Materials Chemistry and Physics, 116, pp 607-614.
  • NT Gorham, T Becker, DW Shiers, HR Watling (2009) “Visualisation of bacterial behaviour using tapping-mode atomic force microscopy”, Advanced Materials Research, 71-73, 341-344.
  • JM Bennett, O Warschkow, NA Marks, DR McKenzie (2009) “Diffusion pathways of phosphorus atoms on silicon (001)”, Physical Review B, 79, pp 1653111-1653119.
  • MV Baker, DH Brown, RA Haque, PV Simpson, BW Skelton, AH White, CC Williams (2009) “Mercury complexes of n-heterocyclic carbenes derived from imidazolim-linked cyclophanes: synthesis, structure and reactivity”, Organometallics, 28, pp 3793-3803.
  • L Glasser, HDB Jenkins (2009) “Single-ion entropies, S°ion, of solids: a route to standard entropy estimation”, Inorganic Chemistry, 48, pp 7408-7412.
  • TA Hoang, H Ang, AL Rohl (2009) “Effects of organic additives on calcium sulfate scaling in pipes”, Australian Journal of Chemistry, 62, pp 927-933.
  • E Maslen, K Grice, JD Gale, C Hallman, B Horsfield (2009) “Croctane: a potential marker of photic zone euxinia in thermally mature sediments and crude oils of Devonian age”, Organic Geochemistry, 40, pp 1-11.
  • MV Baker, DH Brown, PV Simpson, BW Skelton, AH White (2009) “Palladium complexes of o-xylyl-linked alkoxybenzimidazolin-2-ylidenes: interesting structural conformations and application as pre-catalysts”, Dalton Transactions, 2009, pp 7294-7307.
  • R Chester, R De Marco, M Mocerino, MI Ogden, BW Skelton, AH White (2009) “Structures and properties of solvated and unsolvated isopropyl functionalised Calix[4]arenes”, Supramolecular Chemistry, 21, pp 479-485.
  • CS Cucinotta, G Miceli, P Raiteri, M Krack, TD Kuhne, M Bernasconi, M Parinello (2009) “Superionic conduction in substiochiometric LiAl alloy: an ab initio study”, Physical Review Letters, 103, pp 1259011-1259014.
  • MV Baker, DH Brown, YS Casadio, TV Chirila (2009) “The preparation of poly(2-hydroxyethyl methacrylate) and poly{(2-hydroxyethyl methacrylate)-co-[poly(ethylene glycol) methyl ethermethacrylate]} by photoinitiated polymerisation-induced phase separation in water”, Polymer, 50, pp 5918-5927.
  • KY Chumbimuni-Torres, E Bakker, J Wang (2009) “Real-Time Probing of the Growth Dynamics of Nanoparticles Using Potentiometric Ion- Selective Electrodes”, Electrochem Comm, 11, pp 1964-1967.
  • P Buhlmann, E Bakker, R Gyurcsanyi, E Pretsch, J Wang (2009) “InternationalConference on Electrochemical Sensors Matrafured 2008”, Electroanalysis, 21, pp 1883-1886.
  • P Si, E Bakker (2009) “Thin Layer Electrochemical Extraction of Non-Electroactive Cations” Chem. Comm., 35, pp 5260-5262.
  • L Höfler, I Bedlechowicz, T Vigassy, RE Gyurcsanyi, E Bakker, E Pretsch (2009) “Limitations of Current Polarization for Lowering the Detection Limit of Polymeric Membrane Potentiometric Sensors”, Anal. Chem., 81, pp 3592-3599.
  • KL Gemene, E Bakker (2009) “Direct Measurement of Total Calcium in Physiological Fluids by Flash Chronopotentiometry at Polymer Membrane Ion-Selective Electrodes” Anal. Chim. Acta, 648, pp 240-245.
  • BN Nair, RP Burwood, VJ Goh, K Nakagawa, T Yamaguchi (2009) “Lithium based ceramic materials and membranes for high temperature CO2 separation”, Progress in Materials, 54, pp 511-541.
  • KJ Jalkanen, M Knapp-Mohammady, A Hotz-Wagenblatt, KH Glatting, A Retzmann, M Kiegninger, F Herrmann, Y Aoki (2009) “A Festschrift in honor of Sandor Suhai’s 65th birthday”, Theoretical Chemistry Accounts, no page numbers.
  • KY Chumbimuni-Torres, C Thammakhet, M Galik, P Calvo-Marzal, J Wie, E Bakker, G Flechsig, J Wang (2009) “High-temperature potentiometry: modulated response of ion-selective electrodes during heat pulses”, Analytical Chemistry, 81, pp 10290-10294.
  • C Thammakhet, M Galik, J Wu, P Galvo-Marzal, E Bakker, G-U Flechsig, J Wang (2009) “High Temperature Potentiometry: Modulated Response of Ion-Selective Electrodes During Heated Pulses”, Anal. Chem., 81, pp 10290-10294.
  • Q Li, M Retsch, J Wang, W Knoll, U Jonas (2009) “Porous network through colloidal templates”, Topics in Current Chemistry, 287, pp 135-180.
  • M Retsch, Z Zhou, S Rivera, M Kappl, XS Zhao, U Jonas, Q. Li (2009) “Fabrication of Large Area, Transferable Colloidal Monolayers Utilizing Self-Assembly at the Air-Water Interface”, Macromolecule Chemistry and Physics, 210, pp 230-241.
  • R Liu, D Wu, S Liu, K Koynov, W Knoll, Q Li (2009) “An Aqueous Route to Multicolour Photoluminescent Carbon Dots Using Silica Spheres as Carriers” Angewandte Chemie International Edition, 121, pp 4668-4671.
  • L Wang, Y Wan, Y Li, Z Cai, XS Zhao, Q Li (2009) “Binary Colloidal Crystals Fabricated with a Horizontal Deposition Method”, Langmuir, 25, pp 6753-6759.
  • Y Wan, Z Cai, L Xia, L Wang, J Ma, Y Li, Q Li, XS Zhao (2009) “Simulation and fabrication of binary colloidal photonic crystals and their inverse structures”, Materials Letters, 63, pp 2078-2081.
  • Q Li, KHA Lau, EK Sinner, DH Kim, W Knoll (2009) “The effect of fluid flow on selective protein adsorption on polystyrene-block-poly(methyl methacrylates) copolymers”, Langmuir, 25, pp 12144-12150.
  • MB Taylor, DWM Lau, JG Partridge, DG McCulloch, NA Marks, EHT Teo, DR McKenzie (2009) “The origin of preferred orientation during carbon film growth”, Journal of Physics: Condensed Matter, 21, pp 2250031-225039.
  • RC Powles, NA Marks, DWM Lau (2009) “Self-assembly of sp2-bonded carbon nanostructures from amorphous precursors”, Physical Review B, 79, pp 0754301-07543011.
  • ELJ Watkin, LA Mutch, S Rome, WG Reeve, JM Castelli, Y Gruchlik, WM Best, GW O’Hara, JG Howieson (2009) “The effect of acidity on the production of signal molecules by Medicago roots and their recognition by Sinorhizobium”, Soil Biology & Biochemistry, 41, pp 163-169.
  • ELJ Watkin, SE Keeling, FA Perrot, DW Shiers, ML Palmer, HR Watling (2009) “Metals Tolerance in Moderately Thermophilic Isolates from a Spent Copper Sulfide Heap, closely related to Acidithiobacillus caldus, Acidimicrobium ferrooxidans and Sulfobacillus thermosulfidooxidans”, Journal of Industrial Microbiology and Biotechnology, 36, pp 461-465.
  • LA Mutch, HR Watling, ELJ Watkin (2009) “Population dynamics of a low-grade chalcopyrite bioleaching column”, Advanced Materials Research, 71-73, pp 71-74.
  • CM Zammit, LA Mutch, HR Watling, ELJ Watkin (2009) “The characterization of salt tolerance in biomining microorganisms and the search for novel salt tolerant strains”, Advanced Materials Research, 71-73, pp 283-286.
  • CM Zammit, LA Mutch, HR Watling, ELJ Watkin (2009) “Nucleic acid extraction from biomining microorganisms”, Advanced Materials Research, 71-73, pp 159-162.
  • DJ Carter, M Puckeridge, B Delley, C Stampfl (2009) “Quantum confinement effects in gallium nitride nanostructures: ab initio investigations”, Nanotechnology, 20, pp 425401.
  • DJ Carter, C Stampfl (2009) “Atomic and electronic structure of single and multiple vacancies in GaN nanowires from first-principles”, Physical Review B, 79, pp 195302.
  • C Howitt, E Blake, M Calais, Y Carnellor, S Frid, S Lewis, M Mocerino, L Parker, L Sparrow, J Ward, M Zadnik (2009) “Collaborating with ‘real’ scientists and engineers to increase pre-service early childhood teachers’ science content knowledge and confidence to teach science”, In M. Kim, S. Hwang and A. Tan (Eds.), Proceedings of the International Science Education Conference. Science Education: Shared Issues, Common Future, pp 931-967, Singapore: National Institute of Education.
  • Sperink S., Becker T., Wright K., and Richmond W.R. (2009) “Synthesis and characterization of lamellar ZnS nanosheets containing intercolated diamines”. J. Incl. Phenom. Macrocycl. Chem. 65: 89-95
  • Wright K. “Mechanisms of cadmium, manganese and ferrous iron uptake by sphalerite (ZnS)”. Canadian Mineralogist 47 (3): 615-623
  • Murphey P.J., Smith A.L., Hudson-Edwards K.A., Dubbin W.E. and Wright K. “Raman and IR spectroscopic studies of Al(III), Cr(III), Fe(III) and V(III) analogues of alunite- and jarosite-type compounds”. Canadian Mineralogist 47 (3): 663-681
  • Walker A.M., Woodley S.M., Slater B. and Wright K. (2009) “A computational study of magnesium point defects and diffusion in forsterite”. Earth Plan. Sci. Letts. 172:20-27
  • N Todorova, F Marinelli, S Piana, I Yarovsky “Exploring the folding free energy landscape of insulin using bias exchange metadynamics.” J Phys Chem B. 19;113(11):3556-64. (2009)
  • R Devanathan, S Thevuthasan and JD Gale, “Defect interactions and ionic transport in scandia stabilized zirconia”, Phys. Chem. Chem. Phys., 11, 5506-5511 (2009)
  • D Panduwinata and JD Gale, “A first principles investigation of lithium intercalation in TiO2-B”, J. Mater. Chem., 19, 3931-3940 (2009)
  • R De Marco, E Jee, K Prince, E Pretsch, E Bakker (2009) “Synthesis and characterization of high-integrity solid-contact polymeric ion sensors”, Journal of Solid State Chemistry, 13, pp 137-148.
  • E Maslen, K Grice, JD Gale, C Hallmann, B Horsfield (2009) “Crocetane: A potential marker of photic zone euxinia in thermally mature sediments and crude oils of Devonian age”, Organic Geochemistry, 40, pp 1-11.
  • R Chester, F Jones, M Loan, A Oliveira, WR Richmond (2009) “The dissolution behaviour of titanium oxide phases in synthetic Bayer liquors at 90°C”, Hydrometallurgy, 96, pp 215-222.
  • Y Xu, E Bakker (2009) “Ion channel mimetic chronopotentiometric polymeric membrane ion sensor for surface-confined protein detection”, Langmuir, 25, pp 568-573.
  • KL Gemene, E Bakker (2009) “Flash chronopotentiometric sensing of the polyions protamine and heparin at ion-selective membranes”, Analytical Chemistry, 386, pp 276-281.
  • GA Carter, RD Hart, MR Rowles, CE Buckley, MI Ogden (2009) “The effect of processing parameters on particle size in ammonia-induced precipitation of zirconyl chloride under industrially relevant conditions”, Powder Technology, 191, pp 218-226.
  • L Glasser, F Jones (2009) “Systematic Thermodynamics of Hydration (and of Solvation) of Inorganic Solids”, Inorganic Chemistry, 48, pp 1661-1665.
  • JM Harrowfield, GA Koutsantonis, GL Nealon, BW Skelton, MA Spackman (2009) “Proton switching of polarity in metalloamphiphile crystals”, CrystEngComm, 11, pp 249-253.
  • TR Gray, T Kelly, LL LaGasse, LLM Smith, C Derauf, W Hanning, P Grant, R Shah, A Arria, A Stuss, BM Lester, MA Huestis (2009) “Novel biomarkers of prenatal methamphetamine exposure in human meconium”, Therapeutic Drug Monitoring, 31, pp 70-75.
  • DJ Carter, O Warschkow, NA Marks, DR McKenzie (2009) “Electronic structure models of phosphorus doped silicon”,Physical Review B, 79, pp 033204-1-033204-4.
  • X Li, Z Zhu, J Chen, R De Marco, A Dicks (2009) “Surface modification of carbon fuels for direct carbon fuel cells”, Journal of Power Sources, 186, pp 1-9.
  • F Bejina, M Blanchard, K Wright, DG Price (2009) “A computer simulation study of the effect of pressure on Mg diffusion in forsterite”, Physics of the Earth and Planetary Interiors, 172, pp 13-19.
  • M Blanchard, E Balan, K Wright (2009) “Incorporation of water in ion-free ringwoodite: A first principles study”, American Mineralogist, 94, pp 83-89.
  • AM Walker, SM Woodley, B Slater, K Wright (2009) “A computational study of magnesium point defects and diffusion in forsterite”, Physics of the Earth and Planetary Interiors, 172, pp 20-27.
  • JM Bennett, O Warschkow, NA Marks (2009) “Aminoxyl radicals on the silicon (001) surface”, Journal of Physical Chemistry C, 113, pp 1020-1027.
  • TD Dincer, MI Ogden, GM Parkinson (2009) “In situ investigation of growth rates and growth rate dispersion of α-lactose monohydrate crystals”, Journal of Crystal Growth, 311, pp 1352-1358.
  • A Herraez, RM Hanson, L Glasser (2009) “Interactive 3D phase diagrams using jmol”, Journal of Chemical Education, 86, pp 566.
  • MV Baker, DH Brown, PV Simpson, BW Skelton, AH White (2009) “Synthesis and characterisation of (alkoxybenzimidazolin-2-ylidene) palladium complexes: the effect of ancillary ligands on the behaviour of precatalysts”, European Journal of Inorganic Chemistry, 2009, pp 1277-1288.
  • TD Dincer, MI Ogden, GM Parkinson (2009) “Crystal growth mechanisms of the (010) face of x-lactose monohydrate crystals”,Journal of Crystal Growth, 311, pp 2427-2432.

2008

  • S Piana, A Laio “Advillin folding takes place on a hypersurface of small dimensionality.” Phys Rev Lett. 14;101(20):208101 (2008).
  • S Piana, A Laio, F Marinelli, M Van Troys, D Bourry, C Ampe, JC Martins ” Predicting the effect of a point mutation on a protein fold: the villin and advillin headpieces and their Pro62Ala mutants.” J Mol Biol. 11;375(2):460-70. (2008)
  • VP Nicu, J Neugebauer, SK Wolff, EJ Baerends (2008) “A vibrational circular dichroism implementation within a Slater-type-orbital based density functional framework and its application to hexa- and hepta-helicenes”, Theoretical Chemistry Account, 119, pp 245-263.
  • P Fristrup, PR Lassen, D Tanner, KJ Jalkanen (2008) “Direct determination of absolute configuration: a vibrational circular dichroism study on dimethyl-substituted phenyloxiranes synthesized by Shi epoxidation”, Theoretical Chemistry Account, 119, pp 133-142.
  • GA Carter, A van Riessen (2008) “Neutron Diffraction of Zirconia-Dispersed Alumina with Increasing Stress and Temperature”, Journal of the American Ceramic Society, 91(2), pp 559-562.
  • U Aschauer, F Jones, WR Richmond, P Bowen, AL Rohl, GM Parkinson, H Hofmann (2008) “Growth modification of hematite by phosphonate additives”, Journal of Crystal Growth, 310, pp 688-698.
  • DC Southam, TW Lewis, AJ McFarlane, T Borrman, JH Johnson (2008) “Calcium-phosphorus interactions at a nano-structured silicate surface”, Journal of Colloid and Interface Science, 319, pp 489-497.
  • E Artacho, E Anglada, O Dieguez, JD Gale, A Garcia, J Junquera, RM Martin, P Ordejon, JM Pruneda, D Sanchez-Portal, JM Soler (2008) “The SIESTA method; developments and applicability”, Journal of Physics: Condensed Matter, 20, pp 1-6.
  • CM Zammit, LA Mutch, HR Watling, ELJ Watkin (2008) “Evaluation of quantitative real-time polymerase chain reaction for enumeration of biomining microorganisms in culture”, Hydrometallurgy, 9, pp 185-189.
  • ELJ Watkin, SE Keeling, FA Perrot, DW Shiers, ML Palmer, HR Watling (2008) “Metals Tolerance in Moderately Thermophilic Isolates from a Spent Copper Sulfide Heap, closely related to Acidithiobacillus caldus, Acidimicrobium ferrooxidans and Sulfobacillus thermosulfidooxidans”, Journal of Industrial Microbiology and Biotechnology. Published online 23rd December 2008 DOI 10.1007/s10295-008-0508-5.
  • F Jones, P Jones, R De Marco, B Pejcic, A Rohl (2008) “Understanding barium sulphate precipitation onto stainless steel”, Applied Surface Science, 254, pp 3459-3468.
  • F Jones, S Piana, JD Gale (2008) “Understanding the Kinetics of Barium Sulfate Precipitation from Water and Water-Methanol Solutions”, Crystal Growth and Design, 8, pp 817-822.
  • KJ Jalkanen, IM Degtyarenko, RM Nieminen, X Cao, LA Nafie, F Zhu, LD Barron (2008) “Role of the hydration in determining the structure and vibrational spectra of L-alanine and N-acetyl L-alanine N-methylamide in aqueous solution: a combined theoretical and experimental approach”, Theoretical Chemistry Account, 119, pp 191-210.
  • K Ramnarayan, HG Bohr, KJ Jalkanen (2008) “Classification of protein fold classes by knot theory and prediction of folds by neural networks: a combined theoretical and experimental approach”, Theoretical Chemistry Account, 119, pp 265-274.
  • WR Richmond “Contextual chemistry and physics teaching in an undergraduate Nanotechnology degree”, Journal of Materials Education, 30, pp 23-28.
  • NT Gorham, TG St Pierre, W Chua-Anusorn, GM Parkinson (2008) “Magnetic energy-barrier distributions for ferrihydrite nanoparticles formed by reconstituting ferritin”, Journal of Applied Physics, 103, pp 54302-1-54302-5.
  • DJ Carter, JD Gale, B Delley, C Stampfl (2008) “Geometry and diameter dependence of the electronic and physical properties of GaN nanowires from first principles”, Physical Review B, 77, pp 115349-1-115349-12.
  • L Glasser (2008) “Determining the pressure inside an intact carbonated beverage can”, Journal of Chemical Education, 85, pp 47-47.
  • S Lowitzer, DJ Wilson, B Winkler, V Milman, JD Gale (2008) “Defect properties of albite – A combined empirical potential and density functional theory study”, Physical and Chemistry of Minerals, 35, pp 129-135.
  • KA Hudson, AML Smith, WE Dubbin, AJ Bennett, PJ Murphy, K Wright (2008) “Comparison of the structures of natural and synthetic Pb-Cu-jarosite-type compounds”, Eur. J. Mineral, 20, pp 241-252.
  • E Balan, K Refson, M Blanchard, S Delattre, M Lazzeri, J Ingrin, F Mauri, K Wright, B Winkler (2008) “Theoretical infrared absorption coefficient of OH groups in minerals”, American Mineralogist, 93, pp 950-953.
  • AL Chandrasegaran, DF Treagust, M Mocerino (2008) “An Evaluation of a Teaching Intervention to Promote Students’ Ability to Use Multiple Levels of Representation When Describing and Explaining Chemical Reactions”, Research In Science Education, 38, pp 237-248.
  • Z Han, Q Yang, J Shi, GQ Lu, SW Lewis (2008) “Well-dispersed cadium sulphide prepared in the presence of laponite by microwave irradiation”, Solid State Sciences, 10, pp 563-568.
  • T Kelly, TR Gray, MA Huestis (2008) “Development and validation of a liquid chromatography-atmospheric pressure chemical ionization-tandem mass spectrometry method for simultaneous analysis of 10 amphetamine-, methamphetamine- and 3,4-methylenedioxymethamphetamine-related (MDMA) analytes in human meconium”, Journal of Chromatography B, 867, pp 194-204.
  • L Glasser, HDB Jenkins (2008) “Internally Consistent Ion Volumes and Their Application in Volume-Based Thermodynamics”, Inorganic Chemistry, 47, pp 6195-6202.
  • IM Degtyarenko, KJ Jalkanen, AA Gurtovenko, RM Nieminen (2008) “The aqueous and crystalline forms of L-alanine zwitterion”, 5, pp 277-285.
  • BO Cankurtaran, JD Gale, MJ Ford (2008) “First principles calculations using density matrix divide-and-conquer within the SIESTA methodology”, Journal of Physics: Condensed Matter, 20, pp 1-12.
  • VL Vinograd, D Bosbach, B Winkler, JD Gale (2008) “Subsolidus phase relations in Ca2Mo2O8-NaEuMo2O8-powellite solid solution predicted from static lattice energy calculations and Monte Carlo simulations”, Physical Chemistry Chemical Physics, 10, pp 3509-3518.
  • A Bilic, JD Gale (2008) “Simulation of proton diffusion in in-doped CaZrO3”, Solid State Ionics, 179, pp 871-874.
  • A Bilic, JD Gale (2008) “Chemisorption of molecular hydrogen on carbon nanotubes: a route to effective hydrogen storage”, American Chemical Society, 112, pp 12568-12575.
  • R Jelly, SW Lewis, C Lennard, KF Lim, J Almog (2008) “Lawsone: a novel reagent for the detection of latent fingermarks on paper surfaces”, Chemical Communications, 1, pp 3513-3515.
  • GW Bates, PA Gale, ME Light, MI Ogden, CN Warriner (2008) “Structural diversity in the first metal complexes of 2,5-dicarboxamidopyrroles and 2,5-dicarbothioamidopyrroles”, Dalton Transactions, 31, 4106-4112.
  • T Becker, CY Goh, F Jones, M McIldowie, M Mocerino, MI Ogden (2008) “Proline-functionalised calix[4]arene: an anion-triggered hydrogelator”, The Royal Society of Chemistry, 33, pp 3900-3902.
  • GA Carter, MR Rowles, RD Hart, MI Ogden, CE Buckley (2008) “From zirconyl chloride to zirconia ceramics, a plant operation perspective”, Materials Forum, 32, pp 82-89.
  • PG Karamertzanis, P Raiteri, M Parrinello, M Leslie, LS Price (2008) “The thermal stability of lattice-energy minima of 5-fluorouracil: metadynamics as an aid to polymorph prediction”, Journal of Physical Chemistry B, 112, pp 4298-4308.
  • P Raiteri, G Bussi, CS Cucinotta, A Credi, J Fraser Stoddart, M Parrinello (2008) “Unravelling the shuttling mechanism in a photoswitchable multicomponent bistable rotaxane”, Angewandte Chemie-International Edition, 47, pp 3536-3539.
  • D Donadio, R Martonak, P Raiteri, M Parrinello (2008) “Influence of temperature and anisotropic pressure on the phase transitions in a-cristobalite”, Physical Review Letters, 100, pp 1655021-1655024.
  • B Winkler, JD Gale, K Refson, DJ Wilson, V Milman (2008) “The influence of pressure on the structure and dynamics of hydrogen bonds in zoisite and clinozoisite”, Phys. Chem. Miner., 35, pp 25-35.
  • S Piana, F Jones, Z Taylor, P Raiteri, JD Gale (2008) “Exploring the role of ions and amino acids in directing the growth of minerals from solution”, Mineralogical Magazine., 72, pp 273-276.
  • D Wim Lau, DG McCulloch, MB Taylor, JG Partridge, NA Marks, DR McKenzie, E Tao, BK Tay (2008) “Abrupt stress induced transformation in amorphous carbon films with highly conductive transition phase”, Physical Review Letters, 100.
  • O Warschkow, SR Schofield, NA Marks, MW Radny, PV Smith, DR McKenzie (2008) “Water on silicon (001): C-defects and initial steps on surface oxidation”, Physical Review B, 77.
  • NA Marks, BS Thomas, KL Smith, GR Lumpkin (2008) “Thermal spike recrystallisation: molecular dynamics simulation of radiation damage in polymorphs of titania”, Nuclear Instruments and Methods in Physics Research B, 254, pp 2665-2670.
  • KL Gemene, E Bakker (2008) “Direct sensing of total acidity by chronopotentiometric flash titrations of polymer membrane ion-selective electrodes”, Anal. Chem., 80, pp 3743-3750.
  • A Numnuam, KY Chumbimuni-Torres, Y Xiang, R Bash, P Thavarungkul, P Kanatharana, E Pretsch, J Wang, E Bakker (2008) “Aptamer-based potentiometric measurements of proteins using ion-selective microelectrodes”, Anal. Chem., 80, pp 707-712.
  • KY Chumbimuni-Torres, P Calvo-Marzal, J Wang, E Bakker (2008) “Electrochemical sample matrix elimination for trace-level potentiometric detection with polymeric membrane ion-selective electrodes”, Anal. Chem., 80, pp 6114-6118.
  • JP Veder, R De Marco, G Clarke, R Chester, A Nelson, K Prince, E Pretsch, E Bakker (2008) “Elimination of Undesirable Water Layers in Solid-Contact Polymeric Ion-Selective Electrodes”, Anal. Chem., 80, pp 6731-6740.
  • K Wygladacz, Y Qin, W Wroblewski, E Bakker (2008) “Phosphate-selective fluorescent sensing microspheres based on uranyl salophene ionophores”, Analytica Chemica Acta, 614, pp 77-84.
  • Y Xu, A Shvarev, S Makarychev-Mikhailov, E Bakker (2008) “Reversible detection of proteases and their inhibitors by a pulsed chronopotentiometric polyion-sensitive electrode”, Analytical Biochemistry, 374, pp 366-370.
  • A Numnuam, KY Chumbimuni-Torres, Y Xiang, R Bash, P Thavarungkul, P Kanatharana, E Pretsch, J Wang, E Bakker (2008) “Potentiometric detection of DNA hybridization”, Journal of the American Chemical Society, 130, 410-411.
  • E Bakker, K Chumbimuni-Torres (2008) “Modern directions for potentiometric sensors”, J. Braz. Chem. Soc., 19, pp 621-629.
  • E Bakker, V Bhakthavatsalam, KL Gemene (2008) “Beyond potentiometry: Robust electrochemical ion sensor concepts in view of remote chemical sensing”, Talanta, 75, pp 629-635.
  • E Bakker, E Pretsch (2008) “Nanoscale Potentiometry”, Trends in Analytical Chemistry, 27, pp 612-618.
  • GR Lumpkin, KL Smith, MG Blackford, BS Thomas, NA Marks, NJ Zaluzec (2008) “Experimental and atomistic modelling study of ion irradation damage in thin crystals of the TiO2 polymorphs”, Physical Review B, 77.
  • Q Lu, NA Marks, GC Schatz, T Belytschko (2008) “Nanoscale fracture of tetrahedral amorphous carbon by molecular dynamics: flaw size insensitivity”, Physical Review B, 77.
  • R De Marco, J Martizano (2008) “Response of a copper (II) and iron (III) ion-selective electrode bielectrode array in saline media”, Talanta, 75, pp 1234-1239.
  • V Bhakthavatsalam, E Bakker (2008) “Operational limits of controlled current coulometry with ion-selective polymeric membranes”, Electroanalysis, 20, pp 225-232.
  • E Bakker (2008) “Erno Pretsch 65 Years”, Electroanalysis, 20, pp 223-224.
  • R De Marco, E Jee, K Prince, E Pretsch, E Bakker (2008) “Synthesis and characterization of high-integrity solid-contact polymeric ion sensors”, Journal of Solid State Chemistry, pp 1-12.
  • PA Wood, D Francis, WG Marshall, SA Moggach, S Parsons, E Pidcockc, AL Rohl (2008) “A study of the high-pressure polymorphs of L-serine using ab initio structures and PIXEL calculations”, CrystEngComm, 10, pp 1154-1166.
  • Y Xu, W Ngeontae, E Pretsch, E Bakker (2008) “Backside calibration chronopotentiometry: using current to perform ion measurements by zeroing the transmembrane ion flux”, Analytical Chemistry, 80, pp 7516-7523.
  • R De Marco, JP Veder, G Clarke, A Nelson, K Prince, E Pretsch, E Bakker (2008) “Evidence of a water layer in solid-contact polymeric ion sensors”, PhysChemChemPhys, 10, pp 73-76.
  • AL Rohl, M Moret, W Kaminsky, K Claborn, JJ McKinnon, B Kahr (2008) “Hirshfeld surfaces identify inadequacies in computations of intermolecular interactions in crystals: pentamorphic 1,8-dihydroxyanthraquinone,” Crystal Growth and Design, 8, pp 4517-4525.

2007

  • VL Vinograd, BP Burton, JD Gale, NL Allan, B Winkler (2007) “Activity-composition relations in the system CaCO3-MgCO3 predicted from static structure energy calculations and Monte Carlo simulations”, Geochimica et Cosmochimica Acta, 71, pp 974-983
  • R De Marco, Z-T Jiang, D John, M Sercombe, B Kinsella (2007) “An in situ electrochemical impedance spectroscopy/synchrotron radiation grazing incidence X-ray diffraction study of the influence of acetate on the carbon dioxide corrosion of mild steel”, Electrochimica, 52, pp 3746-375
  • M Blanchard, M Alfredsso, J Brodholt, K Wright, CRA Catlow (2007) “Arsenic incorporation into FeS2 pyrite and its influence on dissolution: A DFT study”, Geochimica et Cosmochimica Acta, 71, pp 624-630
  • E Barouda, KD Demadis, SR Freeman, F Jones, MI Ogden (2007) “Barium Sulfate Crystallization in the Presence of Variable Chain Length Aminomethylenetraphosphonates and Cations (Na+ or Zn2+)”, Crystal Growth & Design, 7, pp 321-327
  • A Nafady, AM Bond, A Bilyk, AR Harris, AI Bhatt, AP O’Mullane, R de Marco (2007) “Tuning the Electrocrystallization Parameters of Semiconducting Co[TCNQ]2-Based Materials To Yield either Single Nanowaires or Crystalline Thin Films”, J. Am. Chem. Soc., 129, pp 2369-2382
  • L Glasser (2007) “Dealing with Outliers: Robust, Resistant Regression”, Journal of Chemical Education, 84, pp 533-534
  • T Yamaguchi, T Niitsuma, BN Nair, K Nakagawa (2007) “Lithium silicate based membranes for high temperature CO2 separation”, Journal of Membrane Science, 294, pp 16-21
  • IM Degtyarenko, KJ Jalkanen, AA Gurtovenko, RM Nieminen (2007) “L-Alanine in a Droplet of Water: A Density-Functional Molecular Dynamics Study”, J. Phys. Chem. B, 111, pp 4227-4234
  • E Deplazes, W van Bronswijk, F Zhu, LD Barron, S Ma, LA Nafie, KJ Jalkanen (2007) “A combined theoretical and experimental study of the structure and vibrational absorption, vibrational circular dichroism, Raman and Raman optical activity spectra of the L-histidine zwitterion”, Theoretical Chemistry Account, 119, pp 155-176
  • F Barni, SW Lewis, A Berti, GM Miskelly, G Lago (2007) “Forensic application of the luminol reaction as a presumptive test for latent blood detection”, Talanta, 72, pp 896-913.
  • KJ Jalkanen, GM Jensen (2007) “A Festschrift in Honor of Philip J. Stephens’ 65th Birthday”, Theor. Chem. Acc., 119, pp 1-4
  • K Ramnarayan, H.G. Bohr, K.J. Jalkanen (2007) “Classification of protein fold classes by knot theory and prediction of folds by neural networks: A combined theoretical and experimental approach”, Theoretical Chemistry Account, 119, pp 265-274
  • S Gopalakrishnan, Y Yoshino, M Nomura, BN Nair, SI Nakao (2007) “A hybrid processing method for high performance hydrogen-selective silica membranes”, Journal of Membrane Science, pp 5-9
  • TT Lau, CJ Forst, X Lin, JD Gale, S Yip, KJ Van Vliet (2007) “Many-body potential for point defect clusters in Fe-C alloys”, Physical Review Letters, 98, pp 1-4
  • A Bilic, JD Gale (2007) “Proton Mobility in the In-Doped CaZrO3 Perovskite Oxide”, Chemistry of Materials, 19, pp 2842-2851
  • AL Chandrasegaran, DF Treagust, M Mocerino (2007) “Enhancing students’ use of multiple levels of representation to describe and explain chemical reactions”, School Science Review, 88, pp 115-118
  • AJ Berry, AM Walker, J Hermann, H StC O’Neil, GJ Foran, JD Gale (2007) “Titanium substitution mechanisms in forsterite”, Chemical Geology, 242, pp 176-186
  • M Zhao, ZH Zhu, JD Gale, Y Xia, GQ Lu (2007) “First-principles design of well-ordered silica nanotubes from silica monolayers and nanorings”, Journal of Physical Chemistry, 111, pp 9652-9657
  • K Burke, SW Lewis, J Bett, TE Southurst, KF Lim, SJ Gutowski (2007) “Preliminary investigations into using eugenol to recover erased characters on polymers”, Journal of Forensic Identification, 57, pp 522-529
  • JR Reimers, GC Solomon, A Gagliardi, A Bilic, NS Hush, T Frauenheim, A Di Carlo, A Pecchia (2007) “The green’s function density functional tight-binding (gDFTB) method for molecular electronic conduction”, Journal of Physical Chemistry, 111, pp 5692-5702
  • S Piana, A Laio (2007) “A bias-exchange approach to protein folding”, Journal of Physical Chemistry B, 111, pp 1-23
  • JW Costin, SW Lewis, SD Purcell, LR Waddell, PS Francis, NW Barnett (2007) “Rapid determination of Papaver somniferum alkaloids in process streams using monolithic column high-performance liquid chromatography with chemiluminescence detection”, Analytical Chimica Acta, 597, pp 19-23
  • DJ Carter, MI Ogden, AL Rohl (2007) “Mechanisms of dye incorporation into potassium sulfate: computational and experimental studies”, J. Phys. Chem. C, 111, pp 9283-9289
  • KJ Jalkanen, IM Degtyarenko, RM Nieminen, X Cao, LA Naife, F Zhu, LD Barron (2007) “Role of hydration in determining the structure and vibrational spectra of l-alanine and n-acetyl l-alanine N’-methhylamide in aqueous solution: a combined theoretical and experimental approach”, Theoretical Chemistry Account, 119, pp 191-210
  • D Brown (2007) “Synthetic chemistry in microreactors”, Chemistry in Australia, 74, pp 14-17
  • VL Vinograd, EA Juarez-Arellano, A Lieb, K Knorr, W Schnick, JD Gale, B Winkler (2007) “Coupled A1/Si and O/N order/disorder in BaYb[Si4-xA1xOxN7-x] sialon: neutron powder diffraction and Monte Carlo simulations”, Zeitschrift Fur Kristallographie, 222, pp 402-415
  • VL Vinograd, LL Perchuk, TV Gerya, A Putnis, B Winkler, JD Gale (2007) “Order/disorder phase transition in cordierite and its possible relationship to the development of symplectite reaction textures in granulites”, Petrology, 15, pp 427-440
  • KM Agg, NW Barnett, SW Lewis, JR Pearson (2007) “Preliminary investigations into tris(2,2’-bipridyl) ruthenium (III) as a chemiluminescent reagent for the detection of 3,6-diacetylmorphine (heroin) on surfaces”, Journal of Forensic Sciences, 52, pp 1111-1115
  • P Fristrup, PR Lassen, D Tanner, KJ Jalkanen (2007) “Direct determination of absolute configuration: a vibrational circular dichroism study on dimethyl-substituted phenyloxiranes synthesized by Shi epoxidation”, Theoretical Chemical Account, 119, pp 133-142
  • Y Xu, A Shvarev, T Becker, R De Marco, E Bakker (2007) “Kinetic modulation of pulsed chronopotentiometric polymeric membrane ion sensors by polyelectrolyte multilayers”, Analytical Chemistry, 79, pp 7154-7160
  • R De Marco, G Clarke, B Pejcic (2007) “Ion-selective electrode potentiometry in environmental analysis”, Electroanalysis, 19, pp 1987-2001
  • KJ Jalkanen, JD Gale, PR Lassen, L Hemmingsen, A Rodarte, IM Degtyarenko, RM Nieminen, S Brogger Christensen, M Knapp-Mohammady, S Suhai (2007) “A configurational and conformational study of aframodial and its diasteriomers via experimental and theoretical VA and VCD spectroscopies”, Theoretical Chemical Account, 119, pp 177-190
  • F Jones, P Jones, MI Ogden, WR Richmond, AL Rohl, M Saunders (2007) “The interaction of EDTA with barium sulphate”, ScienceDirect, 316, pp 553-561
  • L Glasser, HDB Jenkins (2007) “The Thermodynamic Solvate Difference Rule: Solvation parameters and their use in interpretation of the role of bound solvent in condensed-phase solvates”, Inorganic Chemistry, 46, pp 9768-9778

2006

  • H Bohr, KJ Jalkanen (2006), “Spectroscopic studies of small biomolecules in condensed phases”, Condensed Matter Theory, pp 375-391.
  • KJ Jalkanen, VW Jurgensen, A Claussen, A Rahim, GM Jensen, RC Wade, F Nardi, C Jung, IM Degtyarenko, RM Nieminen, F Herrmann, M Knapp-Mohammady, TA Niehaus, K Frimand, S Suhai, (2006), “Use of Vibrational Spectroscopy to Study Protein and DNA Structure, Hydration, and Binding of Biomolecules: A Combined Theoretical and Experimental Approach”, International Journal of Quantum Chemistry, 106, pp 1160-1198.
  • AML Smith, KA Hudson-Edwards, WE Dubbin, K Wright (2006), “Dissolution of jarosite [KFe3(SO4)2(OH)6] at pH 2 and 8: Insights from batch experiments and computational modelling”, Geochimica et Cosmochimica Acta, 70, pp 608-621.
  • HDB Jenkins, L Glasser, (2006) “Volume-Based Thermodynamics: Estimations for 2:2 Salts”, Inorganic Chemistry, 45, pp 1754-1756.
  • VW Jurgensen, KJ Jalkanen (2006), “The VA, VCD, Raman and ROA spectra of tri-L-serine in aqueous solution”, Phys Biology, 3, pp S63-S79.
  • VL Vinograd, B Winkler, A Putnis, JD Gale, HF Sluiter (2006) “Static lattice energy calculations of mixing and ordering enthalpy in binary carbonate solid solutions”, Chemical Geology, 225, pp 304-313.
  • A Gatzemeier, K Wright (2006), “Computer modeling of hydrogen defects in the clinopyroxenes diopside and jadeite”, Phys Chem Minerals, 33, pp 115-125.
  • JD Gale (2006), “A periodic density functional study of the location of titanium within TS-1”, Solid State Sciences, 8, pp 234-240.
  • M Mocerino, MI Ogden, JK Pettersen, BW Skelton, AH White (2006) “One-pot selective formylation and claisen rearrangement on calyx[4]arenes”, Supramolecular Chemistry, 18 (2), pp 91-95.
  • F Jones, WR Richmond, AL Rohl (2006), “Molecular modeling of phosphonate molecules onto barium sulfate terraced surfaces”, J. Phys. Chem, B (110), pp 7414-7424.
  • DJ Carter, AL Rohl, JD Gale (2006), “Ab Initio Simulations of the (101) Surfaces of Potassium Dihydrogenphosphate (KDP)”, J. Chem. Theory Comput, 2, pp. 797-800.
  • JL Lowe, AL Rohl, JD Gale, PG Smith, GM Parkinson (2006), “Incorporation of impurity anions into DSP: insights into structure and stability from computer modelling”, Molecular Simulation, 32, (1), pp. 35-44.
  • JB Benedict, DE Cohen, S Lovell, AL Rohl, B Kahr (2006), “What is Syncrystallization? States of the pH Indicator Methyl Red in Crystals of Phthalic Acid”, J. AM. Chem. Soc, 128, pp. 5548-5559.
  • D Talbi, GS Chandler, AL Rohl (2005), “The interstellar gas-phase formatin of CO2 – Assisted or not by water molecules?” Chemical Physycs, 320, pp 214-228.
  • B Kahr, B Chittenden, AL Rohl (2006), “Robert Boyle’s Chiral Crystal Chemistry: Computational Re-evaluation of Enantioselective Adsorption on Quartz”, Chirality, 18, pp 127-133.
  • AML Smith, WE Dubbin, K Wright, KA Hudson-Edwards (2006), “Dissolution of lead- and lead-arsenic-jarosites at pH 2 and 8 and 20 °C: Insights from batch experiments”, Chemical Geology, 229, pp 344-361.
  • R DeMarco, A Lowe, M Sercombe, P Singh (2006), “An electrochemical impedance spectroscopy and scanning electron microscopy study of the influence of positive plate compression on the electrochemical behaviour of lead-acid batteries”, Electrochimica Acta, 51, pp 2088-2095.
  • R De Marco, Z-T Jiang, B Pejcic, A Van Riessen (2006), “In situ synchrotron radiation grazing incidence X-ray diffraction – A powerful technique for the characterization of solid-state ion-selective electrode surfaces”, Electrochimica Acta, 51, pp 4886-4891.
  • VL Vinograd, B Winkler, A Putnis, H Kroll, V Milman, JD Gale, OB Fabrichnaya, (2006), “Thermodynamics of pyrope-majorite, Mg3Al2SiO12 – Mg4Si4O12, solid solution from atomistic model calculations”, Molecular Simulation, 32, (2), pp 85-99.
  • AG Mawson, GA Carter, RD Hart, NM Kirby, AC Nachmann (2006), “Mechanical properties of 8 mole%yttria-stabilised zirconia for solid oxide fuel cells”, Materials Forum, 30, pp 148-158.
  • R De Marco, Z.-T. Jiang, T Becker, G Clarke, G Murgatroyd, K Prince (2006). “Response Mechanisms and New Approcahes with Solid-State Ion-Selective Electrodes: A Powerful Multitechnique Materials Characterization Approach.” Electroanalysis 18(13-14) pp 1273-1281.
  • AML Smith, KA Hudson-Edward, WE Dubbin, K Wright (2006), “Defects and impurities in jarosite: A computer simulation study”, Applied Geochemistry, 21, pp 1251-1258.
  • P Fristrup, PR Lassen, C Johannessen, D Tanner, PO Norrby, KJ Jalkanen, L Hemmingsen (2006), ” Direct Determination of Absolute Configuration of Methyl-Substituted Phenyloxiranes: Combined Experimental and Theorectical Approach”, J. Phys. Chem, 110, pp 9123-9129.
  • R Hoft, JD Gale, MJ Ford (2006). “Implementation of a Z-matrix approach within the SIESTS periodic boundary conditions code and its application to surface adsorption.” Molecular Simulation 32(8) pp 593-598.
  • R Devanathan, WJ. Weber, SC Singhal, JD Gale (2006). “Computer Simulation of defects and oxygen transport in yttria-stabilized zerconia.” Solid State Ionics 177, pp 1251-1258.
  • B Pejcic, R De Marco (2006). “Impedance spectroscopy: Over 35 years of electrochemical sensor optimization.” Electrochimica 51 pp 6217-6229.
  • S Piana, JD. Gale (2006). “Three-dimensional kinetic Monte Carlo simulation of crystal growth from solution.” Journal of Crystal Growth 294 pp 46-52.
  • L Glasser, L. von Szentpaly (2006). “Born-Haber-Fajans Cycle Generalized: Linear Energy Relation between Molecules, Crystals, and Metals.” J. Am. Chem. Soc 128 pp 12314-12321.
  • GA Carter, A. Van Riessen, RD Hart (2006). “Wear of zirconia-dispersed alumina at ambient temperature, 140 °C and 250 °C.” Journal of the European Ceramic Society 26 pp 3547-3555.
  • S Piana, F Jones, JD Gale (2006). “Assisted desolvation as a key kinetic step for crystal growth.” J. Am. Chem. Soc 128 pp 13568-13574.
  • B Pejcic, R. De Marco, GM Parkinson (2006). “The role of biosensors in the detection of emerging infectious diseases.” The Royal Society of Chemistry 131 pp 1079-1090.
  • R De Marco, S. Bailey, Z-T Jiang, J Morton, R Chester (2006). “An in situ chronoamperometry/synchrotron radiation grazing incidence X-ray diffraction study of the electrochemical oxidation of pyrite in chloride media.” Electrochemistry Communications 8 pp 1661-1664.
  • SR Freeman, F Jones, MI Ogden, A Oliviera, WR Richmond (2006). “Effect of Benzoic Acids on Barite and calcite Precipitation.” Crystal Growth and Design 6(11) pp 2579-2587.
  • MJ Ford, RC. Hoft, JD Gale (2006). “Adsorption and dimerisation of thiol molecules on Au(111) using a Z-matrix approach in density functional theory.” Molecular Simulation 32(15) pp 1219-1225.
  • KM Agg, AF Craddock, R Bos, PS Francis, SW Lewis, NW Barnett (2006). “A Rapid Test for Heroin (3,6-Diacetylmorphine) Based on Two Chemiluminescence Reactions.” Journal of Forensic Science 51(5) pp 1080-1084.
  • N Anastos, SW Lewis, NW Barnett, DN Sims (2006). “The Determination of Psilocin and Psilocybin in Hallucinogenic Mushrooms by HPLC Utilizing a Dual Reagent Acidic Potassium Permanganate and Tris (2,2′-bipyridyl) ruthenium (II) Chemiluminescence Detection System.” Journal of Forensic Science 51(1) pp 45-51.
  • JA Gunn, C Shelley, SW Lewis, T Toop, M Archer (2006). “The Determination of Morphine in the Larvae of Calliphora stygia using Flow Injection Analysis and HPLC with Chemiluminescence detection.” Journal of Analytical Toxicology 30 pp 519-523.
  • N Anastos, NW. Barnett, FM Pfeffer, SW Lewis (2006). “Investigation into the tenporal stability of aqueous standard solutions of psilocin and psilocybin using high performace liquid chromatography.” Science and Justice 46(2) pp 91-96.
  • FN Skomurski, RC. Ewing, AL Rohl, JD Gale, U Becker (2006). “Quantum mechanical vs. empirical potential modeling of uranium dioxide (UO2) surfaces: (111), (110), and (100).” American Mineralogist 91 pp 1761-1772.
  • P Fristrup, PR. Lassen, D Tanner, KJ Jalkanen (2006). “Direct determination of absolute configuration: a vibrational circular dichroism study on dimethyl-substituted phenyloxiranes synthesized by Shi epoxidation.” Theor Chem Acc.
  • L Li, ZH Zhu, GQ Lu, ZF Yan, R de Marco (2006). “Synthesis and characterization of turbostratic carbons prepared by catalytic chemical vapour decomposition of acetylene.” Applied Catalysis 309 pp 201-209
  • D John, A Blom, S Bailey, A Nelson, J Schulz, R de Marco, B Kinsella (2006-42). “The application of neutron reflectometry and atomic force microscopy in the study of corrosion inhibitor films.” Physica B 385-386 pp 924-926.
  • R de Marco, Jiang ZT, J Martizano, A Lowe, B Pejcic, A van Riessen (2006). “In situ electrochemical impedance spectroscopy/synchrotron radiation grazing incidence X-ray diffraction – A powerful new technique for the characterization of electrochemical surfaces and interfaces.” Electrochimica 51 pp 5920-5925.
  • WR Richmond, JM Cowley, GM Parkinson, M Saunders (2006). “An electron microscopy study B-FeOOH (akaganeite) nanorods and nanotubes.” CrystEngComm 7 pp1-6.
  • M Minakshi, P Singh, TB Issa, S Thurgate, R de Marco (2006). “Lithium insertion into manganese dioxide elctrode in MnO2/Zn aqueous battery Part III Electrochemical behavior of y-MnO2 in aqueous lithium hydroxide electrolyte.” Journal of Power Sources 153 pp 165-169.
  • G Paglia, CE. Buckley, AL Rohl (2006). “Comment on Examination of Spinel and Nonspinel Structural Models for y-Al2O3 by DFT and Rietveld Refinement Simulations.” J. Phys. Chem 110 pp 20721-20723.
  • F Jones, A Oliveira, AL Rohl, MI Ogden, GM Parkinson (2006). “Understanding the mechanism by which nitrilotriacetic acid interacts with precipitating barium sulfate.” CrystEngComm 8 pp 869-876.
  • AM Walker, S Demouchy, K Wright (2006). “Computer modelling of the energies and vibrational properties of hydroxyl groups in a-and B-Mg2SiO4.” European Journal of Mineralogy 18 pp 529-543.

2005

  • Artacho, E.; Gale, J. D.; Garcia, A.; Junquera, J.; Martin, R. M.; Ordejon, P.; Sanchez-Portal, D.; Soler, J. M., Electronic Structure Calculations with Localized Orbitals: The SIESTA Method. In Handbook of Materials Modelling, Yip, S., Ed. Springer: 2005; Vol. 1: Methods and Models.
  • Austen, K. F.; Wright, K.; Slater, B.; Gale, J. D., The interaction of dolomite surfaces with metal impurities: a computer simulation study. Phys. Chem. Chem. Phys. 2005, 7, 4150-4156.
  • Bartlett, M. J.; Mocerino, M.; Ogden, M. I.; Oliveira, A.; Parkinson, G. M.; Pettersen, J. K.; Reyhani, M., Amino Acid Modified Calixarenes as Crystal Growth Modifiers. J. Mater. Sci. Technol. 2005, 21.
  • Blanchard, M.; Alfredsson, M.; Brodholt, J.; Price, G. D.; Wright, K.; Catlow, C. R. A., Electronic Structure Study of the High-pressure Vibrational Spectrum of FeS2 Pyrite. J. Phys. Chem. B 2005, 109, 22067-22073.
  • Blanchard, M.; Wright, K.; Gale, J. D., A computer simulation study of OH defects in Mg2SiO4 and Mg2GeO4 spinels. Phys. Chem. Miner. 2005.
  • Blanchard, M.; Wright, K.; Gale, J. D., Atomistic simulation of Mg2SiO4 and Mg2GeO4 spinels: a new model. Phys. Chem. Miner. 2005, 32, 332-338.
  • Blyth, K. M.; Ogden, M. I.; Phillips, D. N.; Pritchard, D.; Van Bronswijk, W., Intercalates-Exciting Compounds for Solid-State Chemistry Studies. J. Chem. Educ. 2005, 82, (3), 453-455.
  • Blyth, K. M.; Ogden, M. I.; Phillips, D. N.; Pritchard, D.; Van Bronswijk, W., Reduction of Ilmenite with Charcoal. J. Chem. Educ. 2005, 82, (3), 456-458.
  • Bohr, H.; Jalkanen, K. J., Spectroscopic studies of small biomolecules in condensed phases. In Condensed Matter Theory, 2006; pp 375-391.
  • Bohr, H. B.; Jalkanen, K. J.; Malik, F. B., Electronic pathways in photoactivated repair of UV mutated DNA. Mod. Phys. Lett. B 2005, 19, (11), 473-487.
  • Chantrenne, P.; Barrat, J. L.; Blase, X.; Gale, J. D., An analytical model for the thermal conductivity of silicon nanostructures. J. Appl. Phys. 2005, 97.
  • Chittleborough, D.; Treagust, D. F.; Mamiala, T. L.; Mocerino, M., Students’ perceptions of the role of models in the process of science and in the process of learning. Res. Sci. Technol. Educ. 2005, 23, (2), 195-212.
  • Chittleborough, D.; Treagust, D. F.; Mocerino, M., Non-major chemistry students’ learning strategies: Explaining their choice and examining the implications for teaching and learning. Sci. Educ. Int. 2005, 16, 5-21.
  • Chiu, M. E.; Slater, B.; Gale, J. D., Simulating the dissolution and growth of Zeolite Beta C. Angew Chem. Int. Ed. 2005, (44), 1213 – 1217.
  • Clover, D.; Kinsella, B.; Pejcic, B.; DeMarco, R., The influence of microstructure on the corrosion rate of various carbon steels. J. Appl. Electrochem. 2005, 35, 139-149.
  • Coombes, D. S.; Catlow, C. R. A.; Gale, J. D.; Rohl, A. L.; Price, S. L., Calculation of Attachment Energies and Relative Volume Growth Rates as an Aid to Polymorph Prediction. Cryst. Growth Des. 2005, 5, (3), 879-885.
  • DeMarco, R.; Jiang, Z.-T.; Pejcic, B.; Poinern, E., An In Sity Synchrotron Radiation Grazing Incidence X-Ray Diffraction Study of Carbon Dioxide Corrosion. J. Electrochem. Soc. 2005, 152, (10), B389-B392.
  • DeMarco, R.; Lowe, A.; Sercombe, M.; Singh, P., An electrochemical impedance spectroscopy and scanning electron microscopy study of the influence of positive plate compression on the electrochemical behaviour of lead-acid batteries. Electrochimica 2005, 8.
  • Durnie, W.; DeMarco, R.; Kinsella, B.; Jefferson, A.; Pejcic, B., Predicting the Adsorption Properties of Carbon Dioxide Corrosion Inhibitors Using a Structure-Activity Relationship. J. Electrochem. Soc. 2005, 152, (1), B1-B11.
  • Fleming, S. D.; Morton, J. R.; Rohl, A. L.; Ward, C. B., Interatomic Potentials for Simulating MnO2 Polymorphs. Mol. Simulat. 2005, 31, (1), 25-32.
  • Fleming, S. D.; Rohl, A. L., GDIS: a visualization program for molecular and periodic systems. Z. Kristall. 2005, 220, 580-584.
  • Freij, S. J.; Parkinson, G. M., Surface morphology and crystal growth mechanism of gibbsite in industrial Bayer liquors. Hydrometallurgy 2005, 78, (3-4), 246-255.
  • Gale, J. D., GULP: Capabilities and prospects. Z. Kristall. 2005, 220, 552-554.
  • Gale, J. D., Interatomic Potential Models for Ionic Material. In Handbook of Materials Modeling., Yip, S., Ed. Springer: 2005; Vol. Volume 1: Methods and Models.
  • Glasser, L., Reaction to “The Concept of Ionic Strength Eighty Years after Its Introduction in Chemistry”. J. Chem. Educ. 2005, 82, (2), 212.
  • Glasser, L.; Brooke Jenkins, H. D., Predictive thermodynamics for condensed phases. Chem. Soc. Rev. 2005, 34, 866-874.
  • Han, Z.; Zhu, H.; Shi, J.; Parkinson, G. M., Mesoporous CdS Nanomaterial with Moderate Pore Size. J. Mater. Chem. 2005, TBA, (TBA), TBA.
  • Hantsch, U.; Winkler, B.; Pickard, C. J.; Gale, J. D., Theoretical Investigation of Moganite. Eur. J. Mineral. 2005, 17, (1), 21-30.
  • Harrowfield, J. M.; Ogden, M. I.; Skelton, B. W.; White, A. H., Alfred Werner revisited: Some subtleties of complex ion synthesis and isomerism. C. R. Chimie 2005, 8, 121-128.
  • Head, J.; Bucat, R.; Mocerino, M.; Treagust, D., Exploring Student’s Abilities to Use Two Different Styles of Structural Representation in Organic Chemistry. Can. J. Sci. Math. Technol. Educ. 2005, 5, (1), 133-152.
  • Hobbs, C.; Kantorovich, L.; Gale, J. D., An ab initio study of C60 adsorption on the Si(001) surface. Surf. Sci. 2005, 591, 45-55.
  • Jalkanen, K. J.; Jurgensen, J. W.; Degtyarenko, I. M., Linear response properties required to simulate vibrational spectra of biomolecules in various media: (R)-Phenyloxirane (A comparative theoretical and spectroscopic vibrational study). Adv. Quantum Chem. 2005, 50, 91-124.
  • Jalkanen, K. J.; Wurtz Jurgensen, V.; Claussen, A.; Rahim, A.; Jensen, G. M.; Wade, R. C.; Nardi, F.; Jung, C.; Degtyarenko, I. M.; Nieminen, R. M.; Herrmann, F.; Knapp-Mohammady, M.; Niehaus, T. A.; Frimand, K.; Suhai, S., Use of Vibrational Spectroscopy to Study Protein and DNA Structure, Hydration, and Binding of Biomolecules: A Combined Theoretical and Experimental Approach. Int. J. Quantum Chem. 2006, 106, 1160-1198.
  • Jones, F.; Mocerino, M.; Ogden, M. I.; Oliveira, A.; Parkinson, G. M., Bio-Inspired Calix[4]arene Additives for Crystal Growth Modification of Inorganic Materials. Cryst. Growth Des. 2005, 5, (6), 2336-2343.
  • Jones, F.; Ogden, M. I.; Parkinson, G. M.; Rohl, A. L., Comparison of the effect growth inhibitors have on an isostructural pair of salts. CrystEngComm 2005, 7, (52), 320-323.
  • Jones, F.; Rohl, A. L., Empirical molecular modelling of crystal growth modifiers. Mol. Simulat. 2005, 31, (6-7), 393-398.
  • Jones, F.; Rohl, A. L.; Ogden, M. I.; Parkinson, G. M. In Scale formation and inhibition (The interaction EDTA has with barite), ISIC16, Dresden, 2005; Dresden, 2005.
  • Kawamura, H.; Yamaguchi, T.; Nair, B. N.; Nakagawa, K.; Nakao, S., Dual-Ion Conducting Lithium Zirconate-Based Membranes for High Temperature CO2 Separation. J. Chem. Eng. Jpn. 2005, 38, (5), 322-328.
  • Loan, M.; Parkinson, G. M.; Richmond, W. R., The effect of zinc sulfide on phase transformations of ferrihydrite. Am. Mineral. 2005, 90, 258-261.
  • Loan, M.; Richmond, W. R.; Hockridge, J.; St Pierre, T. G.; Hart, R.; Newman, O. G. M.; Farrow, J. B.; Parkinson, G. M. In Characterization of IronIII Oxyhydroxides in Hydrometallurgical Residues, The Minerals, Metals and Materials Society (TMS), 2005; 2005; pp 13-31.
  • Loan, M.; Richmond, W. R.; Parkinson, G. M., On the crystal growth of nanoscale schwertmannite. J. Cryst. Growth 2005, 275, 1875 – 1881.
  • Lou, X.; Vijayasekaran, S.; Sugiharti, R.; Robertson, T., Morphological and topographic effects on calcification tendency of pHEMA hydrogels. Biomaterials 2005, 26, 5808-5817.
  • Minakshi, M.; Singh, P.; Issa, T.; Thurgate, S.; DeMarco, R., Lithium insertion into manganese dioxide electrode in MnO2/Zn aqueous battery part III. Electrochemical behavior of y-MnO2 in aqueous lithium hydroxide electrolyte. J. Power Sources 2005, 153, 165-169.
  • Nair, B.; Suzuki, T.; Yoshino, Y.; Gopalakrishnan, S.; Sugawara, T.; Nakao, S.; Taguchi, H., An Oriented Nanoporous Membrane Prepared by Pulsed Laser Deposition. Adv. Mater. 2005, 17, 1136-1140.
  • Ogden, M. I.; Skelton, B. W.; White, A. H., Sythesis and structural studies of a lanthanide complex of a calix[4]arene tris-amide. C. R. Chimie 2005, 8, 181 -187.
  • Paglia, G.; Rohl, A. L.; Buckley, C. E.; Gale, J. D., Determination of the structure of y-alumina from interatomic potential and first-principles calculations: The requirement of significant numbers of nonspinel positions to achieve an accurate structural model. Phys. Rev. B 2005, 71, (22), 224115-1 – 224115-16.
  • Piana, S., Structure and energy of a DNA dodecamer under tensile load. Nucleic Acids Res. 2005, 33, (22), 7029-7038.
  • Piana, S.; Gale, J. D., Understanding the Barriers to Crystal Growth: Dynamical Simulation of the Dissolution and Growth of Urea from Aqueous Solution. J. Am. Chem. Soc. 2005, 127, 1975-1982.
  • Piana, S.; Reyhani, M.; Gale, J. D., Simulating micrometre-scale crystal growth from solution. Nature 2005, 438, (3), 70 – 73.
  • Piana, S.; Taylor, Z.; Rothlisberger, U., Folding Pathways for Initiator and Effector Procaspases from Computer Simulations. Proteins: Struct., Funct., Bioinform. 2005, 59, 765-772.
  • Richmond, W. R.; Loan, M.; Newman, M.; Parkinson, G. M., Zinc sulfide as a solid phase additive for improving the processing characteristics of ferrihydrite residues. Hydrometallurgy 2005, 78, (3-4), 172-179.
  • Richmond, W. R.; Parkinson, G. M.; Jones, F.; Ogden, M. I.; Oliveira, A.; Reyhani, M.; Rohl, A. L., Linking Additive Structures to Nanoparticle Properties. J. Metastable Nanocryst. Mater. 2005, 23, 51 – 54.
  • Sastre, G.; Gale, J. D., Derivation of an Interatomic Potential for Fluoride-Containing Microporous Silicates and Germanates. Chem. Mater. 2005, 17, (4), 730-740.
  • Senyshyn, A.; Ehrenberg, H.; Vasylenchko, L.; Gale, J. D.; Bismayer, U., Computational study of LnGaO3 (Ln=La-Gd) perovskites. J. Phys.: Condens. Matter 2005, 17, 6217-6234.
  • Smith, A. M. L.; Hudson-Edwards, K. A.; Dubbin, W. E.; Wright, K., Dissolution of jarosite [KFe3(SO4)2(OH)6] at pH 2 and 8: Insights from batch experiments and computational modelling. Geochim. Cosmochim. Acta 2006, 70, 608-621.
  • Talbi, D.; Chandler, G. S.; Rohl, A. L., The interstellar gas-phase formatin of CO2 – Assisted or not by water molecules? Chem. Phys. 2005, 320, 214-228.
  • Walker, A. M.; Gale, J. D.; Slater, B.; Wright, K., Atomic scale modelling of the cores of dislocations in complex materials part 1: methodology. Phys. Chem. Chem. Phys. 2005, 7, 3227-3234.
  • Walker, A. M.; Gale, J. D.; Slater, B.; Wright, K., Atomic scale modelling of the cores of dislocations in complex materials part 2: applications. Phys. Chem. Chem. Phys. 2005, 7, 3235-3242.
  • Wells, S.; Alfe, D.; Blanchard, L.; Brodholt, J.; Calleja, M.; Catlow, C. R. A.; Price, G. D.; Tyler, R.; Wright, K., Ab-initio simulations of magnetic iron sulphides. Mol. Simulat. 2005, 31, (5), 379-384.
  • Xu, Y.; DeMarco, R.; Shvarev, A.; Bakker, E., Reversible electrochemical monitoring of surface confined reactions at liquid-liquid interfaces by modulation of ion transfer fluxes. Chem. Commun. 2005, 3074-3076.
  • Yoshino, Y.; Suzuki, T.; Nair, B. N.; Taguchi, H.; Itoh, N., Development of tubular substrates, silica based membranes and membrane modules for hydrogen separation at high temperature. J. Membr. Sci.2005, 267, 8-17.

2004

Journal publications

  • Z Asfari, A Bilyk, C Bond, J M Harrowfield, G A Koutsantonis, N Lengkeek, M Mocerino, B W Skelton, A N Sobolev, S Strano, J Vicens, A H White, “Factors influencing solvent adduct formation by calixarenes in the solid state”, Org Biomol Chem, 2, 387-396 (2004)
  • A Barbon, M Bellinazzi, J B Benedict, M Brustolon, S D Fleming, S H Jang, B Kahr, A L Rohl (2004) “Luminescent Probes of Crystal Growth: Surface Charge and Polar Axis Sense in Dye-Doped Potassium Hydrogen Phthalate”, Angew Chem Int Ed, 43, 5328-5331 (2004)
  • E J Chan, B G Cox, J M Harrowfield, M I Ogden, B W Skelton and A H White, “Cation Solvation in the Solid State – Temperature-Dependent Crystal Structures in Some Metal Perchlorates Solvated by Dimethylsulfoxide”, Inorg Chim Acta, 357, 2365-2373 (2004)
  • J A Chan, B Montanari, J D Gale, S M Bennington, J W Taylor, N M Harrison , “Magnetic properties of polymerized C60: The influence of defects and hydrogen”, Phys Rev B, 70, 041403-1-041404-4 (2004)
  • M S Craig, M C Warren, M T Dove, J D Gale, D Sanchez-Portal, P Ordejon, J M Soler and E Artacho, “Simulations of minerals using density functional theory based on atomic orbitals for linear scaling”, Phys Chem Miner, 31, 12-21 (2004)
  • A S Foster, A Y Gal, J D Gale, Y J Lee, R M Nieminen, A L Shluger, “Interaction of silicon dangling bonds with insulating surfaces”, Phys Rev Letts, 92 (3), 036101-1-036101-4 (2004)
  • S J Freij, G M Parkinson, M M Reyhani, “Direct observation of the growth of gibbsite crystals by atomic force microscopy”, J Cryst Growth, 260, 232-242 (2004)
  • A J Freij, G M Parkinson, M M Reyhani, “Atomic force microscopy study of the growth mechanism of gibbsite crystals”, Phys Chem Chem Phys, 6, 1049-1055 (2004)
  • M C Frincu, S D Fleming, A L Rohl, J A Swift, “The epitaxial growth of cholesterol crystals from bile solutions on calcite substrates”, J Am Chem Soc, 126, 7915-7924 (2004)
  • L Glasser, H D B Jenkins, “Standard absolute entropies, from volume or density Part II Organis liquids and solids”, Thermochimica Acta, 414, 125-130 (2004)
  • L Glasser, “Phase diagrams of ordinary water substance”, J Chem Edu, 18 (3), 414-418 (2004)
  • L Glasser, “Lattice and phase transition thermodynamics of ionic liquids”, Thermochimica Acta, 421, 87-93 (2004)
  • J M Harrowfield, M I Ogden, B W Skelton and A H White, “Actinide Coordination Chemistry – a Unique Example of a Homoleptic Complex of Nine-Coordinate Thorium(IV)”, Inorg Chim Acta, 357, 2404-2406 (2004)
  • J M Harrowfield, W R Richmond, B W Skelton, A H White, “Solid-state models of ion solvation: Crystal structures of dimethyl sulfoxide solvates of alkaline earth cations”, Eur J Inorg Chem, 227-230 (2004)
  • H D B Jenkins, L Glasser, “Difference Rule – A New Thermodynamic Principle: Prediction of Standard Thermodynamic Data for Inorganic Solvates” J Am Chem Soc, 126, 5809-15817 (2004)
  • H D B Jenkins, L Glasser, T M Klapotke, M J Crawford, K K Bhasin, J Lee, G J Schrobilgen, L S Sunderlin, J F Liebman, “The Ionic Isomegethic Rule and Additivity Relationships: Estimation of Ion Volumes. A Route to the Energetics and Entropics of New, Traditional, Hypothetical, and Counterintuitive Ionic Materials”, Inorg Chem, 43, 6238-6248 (2004)
  • F Jones, A Oliveira, G M Parkinson, A L Rohl, A Stanley, T Upson, “ The effect of calcium ions on the precipitation of barium sulphate 1: calcium ions in the absence of organic additives”, J Crystal Growth, 262, 572-580 (2004)
  • F Jones, A Oliviera, GM Parkinson, AL Rohl, A Stanley, T Upson, “The effect of calcium cautions on the precipitation of barium sulfate 2: calcium ions in the presence of organic additives”, J Crystal Growth, 270, 593-603 (2004)
  • M Loan, J M Cowley, R Hart, G M Parkinson, “Evidence on the stucture of synthetic schwertmannite” American Mineralogist 89 pp 1735 – 1742
  • M Mocerino, B W Skelton, R V Stick, A H White, “trans-5-(4-romobenzoyloxy)-2-phenyl-1,3-dioxane”, Acta Cryst, E60, 0664-0665 (2004)
  • G Paglia, C E Buckley, A L Rohl, R D Hart, K Winter, A J Studer, B A Hunter, J V Hanna, “Boehmite derived gamma – Alumina system 1 Structural evolution with temperature, with the identification and structural determination of a new transition phase, gamma – Alumina”, Chem Mater, 16, 220-236 (2004) [download article]
  • G Paglia, C E Buckley, T J Udovic, A L Rohl, F Jones, C F Maitland, J Connolly, “Boehmite-derived γ – Alumina system 2 Consideration of hydrogen and surface effects”, Chem Mater, 16, 1914-1923 (2004) [download article]
  • B Pejcic, R De Marco, C E Buckley, C F Maitland, R Knott “A small angle neutron scattering and electrochemical impedance spectroscopy study of the nanostructure of the iron chalcogenide glass ion-selective electrode” Talanta 63, 149-157 (2004)
  • B Pejcic, R De Marco “Characterization of an AgBr-Ag2S-As2S3-HgI2 ion-selective electrode membrane: a X-ray photoelectron and impedance spectroscopy approach” Applied Surface Science 228, 378-400 (2004)
  • B Pejcic, R De Marco “Impedance measurements of a chalcogenide membrane iron(III)-selective electrode in contact with aqueous electrolytes” Electrochimica Acta 49, 3525-3543 (2004)
  • B Pejcic, R DeMarco, “Mechanistic studies of chalcogenide glass ion-selective electrodes” Current Topics in Electrochemistry, 10, 37-50 (2004)
  • S Piana, D Bucher, P Carloni, U Rothlisberger, “Reaction Mechanism of HIV-1 Protease by Hybrid Car-Parrinello/Classical MD Simulations”, J Phys Chem B, 108, 11139-11149 (2004)
  • W R Richmond, M Loan, J Morton, G M Parkinson, “Arsenic removal from aqueous solution via ferrihydrite crystallization control”, Environ Sci Technol 38, 2368-2372 (2004)
  • W R Richmond, J G Hockridge, M Loan, G M Parkinson, “A New Iron Oxyhydroxide Phase: The Molybdate-Substituted Analogue of Akaganeite” Chemistry of Materials, 16 (17), 3203-3205 (2004)
  • J M Ripalda, J D Gale and T S Jones, “Hydrogen bridge bonding on semiconductor surfaces: Density functional calculations”, Phys Rev B, 70, 245314 (2004)
  • D R Rosseinsky, L Glasser, H D B Jenkins, “Thermodynamic Clarification of the Curious Ferric/Potassium Ion Exchange Accompanying the Electrochromic Redox Reactions of Prussian Blue, Iron(III) Hexacyanoferrate(II)”, J Am Chem Soc, 126, 10472-10477 (2004)
  • M Singh, M I Ogden, G M Parkinson, C E Buckley, J Connolly, “Delamination and re-assembly of surfactant-containing Li/Al mlayered double hydroxides”, J Mater Chem 14, 871-874 (2004)
  • S C Tuble, J Anwar, J D Gale, “An Approach to Developing a Force Field for Molecular Simulation of Martensitic Phase Transitions between Phases with Subtle Differences in Energy and Structure”, J Am Chem Soc, 126, 396-405 (2004)
  • S C Tuble, J Anwar and J D Gale, “A forcefield for molecular simulation of D,L-Norleucine in condensed phases and aqueous systems “, J Am Chem Soc, 126, 396-405 (2004)
  • V L Vinograd, M H F Sluiter, B Winkler, A Putnis, U Hålenius, J D Gale and U Becker, “Thermodynamics of mixing and ordering in the pyrope-grossular solid solution”, Miner Mag, 68, 101-121 (2004)
  • A M Walker, B Slater, J D Gale, K Wright, “Predicting the structure of screw dislocations in nanoporous materials”, Nature Publishing Group, 1213, 1-6 (2004)
  • S M Woodley, P D Battle, J D Gale, C Richard, A Catlow, “Prediction of inorganic crystal framework structures”, Phys Chem Chem Phys, 6, 1815-1822 (2004)
  • S M Woodley, C R A Catlow, P D Battle, J D Gale, “The prediction of inorganic crystal framework structures using excluded regions within a genetic algorithm approach”, Chem Commun, 22-23 (2004)
  • K Wright, J D Gale, “Interatomic potentials for the simulation of the zinc-blende and wurtzite forms of ZnS and CdS: Bulk structure, properties, and phase stability”, Physical Review B, 70, 035211-1-035211-8 (2004)

Conference proceedings

  • E Artacho, J D Gale, A Garcia, J Junquera, P Ordejon, D Sanchez-Portal and J M Soler “The SIESTA method for linear-scaling density functional theory” 3rd International Conference Computational Modeling and Simulation of Materials, Sicily, Italia, 30 May – 4 June 2004
  • J Bearfoot and M Mocerino “Preparing Demonstrators To Teach In First Year Chemistry Laboratories” CEC 2004 – Chemistry Education Conference: The Elements of Change, 5-10 February 2004
  • K Blyth and R J Watling “Environmental Sampling At Curtin Chemistry” CEC 2004 – Chemistry Education Conference: The Elements of Change, 5-10 February 2004
  • R Chester, R De Marco, M Mocerino, M I Ogden, B W Skelton and A H White “Isopropyl Functionalised Calix[4]arenas – Sublime Ionophores for ISEs” XXIX International Symposium on Macrocylic Chemistry, Cairns, Australia, 4-8 July 2004
  • S D Fleming, M C Frincu, J D Gale, A L Rohl, J A Swift and K Wright “Simulating calcite surfaces: scale to gallstones” NM2004, Sydney, Australia, 30 June – 3 July 2004
  • J D Gale “Hydrogen storage in nanotubes – has it all gone pear-shaped? A computational perspective” Pacific Rim Conference in Nano Science, Broome, Western Australia, 7-11 September 2004
  • J D Gale, “GULP for Nanochemistry: Present Status and Future Prospects” Nanotechnology Consortium Meeting, New York, 3-6 October 2004
  • N T Gorham, L A Harris, W Chua-anusorn and T G St Pierre “Reconstructing natural nanoparticulate materials for fundamental studies of magnetism” Pacific Rim Conference in Nano Science, Broome, Western Australia, 7-11 September 2004
  • T A Hoang, H M Ang, A L Rohl, M I Jeffrey, “A study of gypsum scale formation using a quartz crystal microbalance”, Proceedings of the 32nd Australasian Chemical Engineering Conference (CHEMECA), Sydney, Australia, 2004
  • T A Hoang, H M Ang, A L Rohl, “Development of a laboratory experimental system for studying gypsum scale formation in pipes”, Proceedings of the 10th APCChE Congress, Kitakyushu, Japan, 2004
  • F Jones “Empirical molecular modelling of crystal growth modifiers” Pacific Rim Conference in Nano Science, Broome, Western Australia, 7-11 September 2004
  • B Kinsella, W Durnie, R De Marco, B Pejcic, “Predicting the adsorption properties of carbon dioxide corrosion inhibitors using a structure-activity relationship” European Corrosion Conference, Nice, France, 12-16 September 2004
  • F Lee, G M Parkinson, M Reyhani, W van Bronswijk and C Vernon “Probing the gibbsite-solution interface using in situ Atomic Force Microscopy” The fourteenth International Conference on Crystal Growth, Alpes Congres, Grenoble, France, 9-13 August 2004.
  • F Lee, GM Parkinson, M Reyhani, W van Bronswijk and C Vernon “Nanoscale forces at the gibbsite-solution interface” Pacific Rim Conference in Nano Science, Broome, Western Australia, 7-11 September 2004.
  • M J McIldowie, M Mocerino, M I Ogden, A Oliveira and J Pettersen “Chiral basket weaving” 20th Royal Australian Chemical Institute Organic Chemistry Conference, Cairns, Australia, 4-8 July 2004.
  • M Mocerino, “Webct And Online Prelab Exercises For Introductory Chemistry Students” CEC 2004 – Chemistry Education Conference: The Elements of Change, 5-10 February 2004
  • M I Ogden, “Teaching Nanotechnology From A Chemist’s Perspective” CEC 2004 – Chemistry Education Conference: The Elements of Change, 5-10 February 2004
  • G M Parkinson “Nanoscience Opportunities” Pacific Rim Conference in Nano Science, Broome, Western Australia, 7-11 September 2004.
  • G M Parkinson “The role of Nanochemistry and Crystal Growth in Materials Science” 2004 Australia-China Materials Science Symposium, Brisbane, Australia, 22-23 October 2004.
  • B Pejcic, GM Parkinson and R De Marco “ New Direction in Biosensor Research at the Australian Biosecurity Cooperative Research Centre” The Eighth World Congress on Biosensors, Granada, Spain, 24-26 May 2004.
  • B Pejcic, R De Marco, “Electrochemical impedance spectroscopy: a tool for evaluating the interfacial reaction kinetics of an Fe3+ sensor in seawater” Interact Conference, Gold Coast, Australia, 4-8 July 2004
  • B Pejcic, R De Marco, “The effect of seawater on the electrochemical behaviour of a chalcogenide-based mercury(II) ion-selective electrode” Interact Conference, Gold Coast, Australia, 4-8 July 2004
  • B Pejcic, G M Parkinson, R De Marco, “Can biosensors play an active role in disease detection?” Australian Biosecurity CRC Workshop, Mooloolaba Outrigger Resort, Queensland, Australia, 22-24 November 2004
  • S Piana, M Sulpizi and U Röthlisberger “Molecular mechanism of caspase activity regulation” NM2004, Sydney, Australia, 30 June – 3 July 2004.
  • S Piana, A L Rohl and J D Gale “MD simulations of a-lactose crystal surfaces in water” NM2004, Sydney, Australia, 30 June – 3 July 2004.
  • M M Reyhani, M Cheah, A Oliveira, M Ogden and G M Parkinson “In situ investigation of the effects of gallic acid on potash alum crystals using optical and atomic force microscopy” Australian Conference on Microscopy & Microanalysis 18 (ACMM – 18), 1-6 February 2004
  • W Richmond, J Crowley, G M Parkinson and M Saunders “An electron microscopy study on hollow b-FeOOH nanoparticles” AXAA(WA) and WASEM Conference, Rottnest Island, Western Australia, 17-19 September 2004.
  • W Richmond, G M Parkinson and J Crowley “Tubes, Tunnels and Whiskers: Nano-scale morphology of Iron Oxy-hydroxides” Pacific Rim Conference in Nano Science, Broome, Western Australia, 7-11 September 2004.

Technical reports

  • W R Richmond “Zinc uptake by ferrihydrite: characterization of zinc in pragoethite precipitates” November 2004 (confidential)
  • F Jones and A L Rohl “Tiwest Final Report: Control of Gypsum Scale Trial Plant” April 2004 (confidential)
  • S D Fleming “Mitsubishi Chemicals Progress Report: Simulation of solvent and crystal surface interaction” December 2004 (confidential)

2003

Journal publications

  • M Ouchi, T Mizuno, T Maeda, N Ebashi, C Kitamura, A Yoneda and M Mocerino, “Syntheses and Cation-Biinding Abiliities of Thiacalix[4]arene Derivatives”, Dev Chem Eng Mineral Process, 11, 529-538 (2003)
  • G Paglia, CE Buckley, AL Rohl, BA Hunter, RD Hart, JV Hanna and LT Byrne, “Tetragonal structural model for boehmite-derived γ – alumina”, Phys Rev B, 68, 144110 (2003)
  • AL Rohl, “Computer prediction of crystal morphology”, Curr Opin Solid St M, 7, 21-26 (2003)
  • JD Gale and AL Rohl, “The General Utility Lattice Program (GULP)”, Mol Simulat, 29, 291-341 (2003)
  • AL Rohl, K Wright and JD Gale, “Evidence from surface phonons for the (2 x 1) reconstruction of the (10-14) surface of calcite from computer simulation”, Am Mineral, 88, 921-925 (2003)
  • DJ Carter, AL Rohl, JD Gale, AM Fogg, RW Gurney and B Kahr, “Adsorption energetics of potassium sulfate dye inclusion crystals”, J Mol Struct, 647, 65-73 (2003)
  • F Jones, A Stanley, A Oliveira, AL Rohl, MM Reyhani, GM Parkinson, and MI Ogden, “The role of phosphonate speciation on the inhibition of barium sulfate precipitation”, J Cryst Growth, 249, 584 (2003)
  • D Carter, MI Ogden, AL Rohl, “Experimental and Computational Studies of Incorporation of Cyano Transition Metal Complexes in Potassium Chloride Crystals”, Aust J Chem, 56, 675 (2003)
  • F Jones, MI Ogden, A Oliveira, GM Parkinson and WR Richmond, “The Effect of Phosphonate-Based Growth Modifiers on the Morphology of Hematite Nanoparticles Formed via Acid Hydrolysis of Ferric Chloride Solutions”, CrystEngComm, 159 (2003)
  • S Fleming, CD Gutsche, JM Harrowfield, MI Ogden, BW Skelton, DF Stewart and AH White, “Calixarenes as aryloxides: oligonuclear europium(III) derivatives”, Dalton Trans, 3319 (2003)

2002

Journal publications

  • MM Reyhani, A Oliveira, GM Parkinson, F Jones, AL Rohl and MI Ogden “In situ characterisation of calcite growth and inhibition using atomic force microscopy” Int J Modern Physics B, 16, 25-33 (2002)
  • AM Fogg, AJ Freij, A Oliveira, AL Rohl, MI Ogden and GM Parkinson “Morphological control of Ca3Al2(OH)12”, J Cryst Growth , 234, 255-262 (2002)
  • AM Fogg, AJ Freij, AL Rohl, MI Ogden and GM Parkinson “Towards a Fundamental Understanding of Molecular Recognition: A Synthetic and Computational Study of Morphological Control of Ca3Al2(OH)12”, J Phys Chem B, 106, 5820-5826 (2002)
  • J Lowe, MI Ogden, A McKinnon, and GM Parkinson “Crystal Growth of Sodium Oxalate from Aqueous Solution”, J Cryst Growth, 237-239, 408 (2002)
  • F Jones, A Oliveira, AL Rohl, MI Ogden and GM Parkinson “Investigation into the effect of phosphonate inhibitors on barium sulfate precipitation”, J Cryst Growth, 237-239, 424 (2002)

2001

Journal publications

  • M-H Choi, B J Kim, I-C Kim, S-H Kim, Y Kim, J M Harrowfield, M-K Lee, M Mocerino, E Rukmini, B W Skelton and A H White “Inter- and intra-molecular pathways in polyamine synthesis from diamines”, J Chem Soc, Dalton Trans, 707 (2001)
  • S Burnet, M-H Choi, PS Donnelly, JM Harrowfield, I Ivanova, S-H Jeong, Y Kim, M Mocerino, BW Skelton, AHWhite, CC Williams and Z-L Zeng “Functionalisation of Cage Amines: Pendent Aromatic and Heteroaromatic Substituents”, Eur J Inorg Chem, 1869-1881 (2001)
  • SD Fleming, AL Rohl, SC Parker and GM Parkinson “Atomistic Modeling of Gibbsite: Cation Incorporation”, J Phys Chem B, 105, 5099-5105 (2001) [Download article]
  • MI Ogden, AL Rohl and JD Gale “An ab initio study of the influence of crystal packing on the host-guest interactions of calix[4]arene crystal structures”, J Chem Soc Chem Comm, 1626-1627 (2001)
  • AS Foster, AL Rohland AL Shluger “Imaging problems on insulators: What can be learnt from NC-AFM modelling on CaF2”, Appl Phys A, 72, S31-S34 (2001)
  • F Jones, J Clegg, A Oliveira, AL Rohl, MI Ogden, GM Parkinson, AM Fogg and M M Reyhani “Anomalous behaviour within a systematic series of barium sulfate growth modifiers”, CrystEngComm, 40, 1-3 (2001)
  • JD Gale, AL Rohl, V Milman and MC Warren, “An ab initio study of the structure and properties of aluminum hydroxide: gibbsite and bayerite”, J Phys Chem B, 105, 10236-10242 (2001)
  • S Camiolo, PA Gale, MI Ogden, BW Skelton and AH White “Solid-state and solution studies of bis-carboxylate binding by bis-amidinium calix[4]arenes” J Chem Soc, Perkin Trans 2, 1294-1298 (2001)
  • MI Ogden, BW Skelton and AH White “Syntheses, structural studies and solution properties of iron complexes of some amide-substituted calixarenes” J Chem Soc, Dalton Trans, 3073 (2001)
  • G Paglia, AL Rohl, CE Buckley and JD Gale “Computational Investigation of the Structure of gamma-Alumina Using Interatomic Potentials”, J Mater Chem, 11, 3310-3316 (2001)
  • F Jones, AL Rohl, MI Ogden and GM Parkinson “Scale Formation and Inhibition”, Materials Forum, 25, 116-135 (2001)

Conference proceedings

  • M Mocerino “Stimulating students to think in labs”, Teaching Learning Forum, Curtin, WA, Feb, 2001
  • M Mocerino, MI Ogdenand AL Rohl “Buffer titrations on the web”, Teaching Learning Forum, Curtin, WA, Feb, 2001
  • J Bearfoot, M Mocerinoand M Zadnik “Demonstrators workshop: Improving teaching and learning in science laboratories with better prepared demonstrators”, RMIT, May, 2001 (Invited workshop – CUTSD Project)
  • J Bearfoot, R Bucat, M Mocerinoand M Zadnik “Improving teaching and learning in science laboratories: Linking education research to practice”, IUPAC Satellite Meeting on Chemistry Education, Brisbane, Australia, July 2001
  • M Mocerino, MI Ogdenand AL Rohl”Virtual laboratory experiments on the web”, IUPAC World Chemistry Congress, Brisbane, Australia, July 2001
  • M Ouchi, T Fukui, C Kitamura, A Yoneda, D Couton, and M Mocerino “Synthesis of thallium(I) selective calix[4]arene derivatives”, IUPAC World Chemistry Congress, Brisbane, Australia, July 2001
  • M J McIldowie, M Mocerino, B W Skelton and A H White “Synthesis and resolution of axially chiral resorcinarenes”, 26th International Symposium on Macrocycle Chemistry, Fukuoka, Japan, July 2001
  • M Mocerino, MI Ogden, A Oliveira, GM Parkinsonand Y Vo “Water-soluble chiral calixarenes as crystal growth modifiers”, 26th International Symposium on Macrocycle Chemistry, Fukuoka, Japan, July 2001
  • D Couton, R Lobler, M Mocerinoand M Ouchi “The extraction of silver, thallium(I) and mercury(II) ions by allyl calixarenes”, 26th International Symposium on Macrocycle Chemistry, Fukuoka, Japan, July 2001
  • M Ouchi, T Fukui, K Horisaka, C Kitamura, A Yoneda, D Couton, and M Mocerino “Silver and thallium(I) complexation with calix[4]arene derivatives”, 26th International Symposium on Macrocycle Chemistry, Fukuoka, Japan, July 2001
  • TE Dyahningtyas, JM Harrowfield, M Mocerino, Y Kim, and E Rukmini “Polyazamacrocyclic copper(II) complexes containing optically active pendent arm”, 26th International Symposium on Macrocycle Chemistry, Fukuoka, Japan, July 2001
  • J M Harrowfield, M Mocerinoand Y Kim “Functionalisation of cage amines: Pendent aromatic and heteroaromatic substituents”, 26th International Symposium on Macrocycle Chemistry, Fukuoka, Japan, July 2001
  • M Mocerino, MI Ogden, A Oliveira, GM Parkinson and Y Vo “Shaping crystals with macrocycles”, 13th International Conference on Crystal Growth, Kyoto, Japan, July 2001
  • BOOK CHAPTERS
  • P Thuéry, M Nierlich, J Harrowfield, and M Ogden “f-Element Ion Complexes of Phenolic Calixarenes: Solid State Coordination Chemistry”, Calixarenes 2001 ed Z Asfari, V Böhmer, J Harrowfield, and J Vicens, Kluwer Academic Publishers, Dordrecht, Boston, London, 2001, p 561

Invited oral presentations

  • M Mocerino “Laboratory assessment workshop”, Science and Mathematics Education Centre, Curtin, WA, Feb, 2001

2000

Journal publications

  • M J McIldowie, M Mocerino, BW Skelton and AH White “Facile Lewis acid catalysed synthesis of C4 symmetric resorcinarenes Org Lett, 2, 3869 (2000)
  • PD Beer, MGB Drew, PA Gale, MI Ogden and HR Powell “Studies of lead(II) complexes of substituted calix[4]diquinones: the remarkable self-assembly of a novel redox-active 3D channel network” CrystEngComm, 30, 1-5, (2000)
  • SD Fleming, AL Rohl, M-Y Lee, JD Gale and GM Parkinson “Atomistic Modelling of Gibbsite: Surface Structure and Morphology”, J Crystal Growth , 209, 159-166 (2000)
  • F Jones, AL Rohl, JB Farrow and W van Bronswijk “Molecular modeling of water adsorption on hematite”, PCCP , 2, 3209-3216 (2000)
  • TS Li, AL Rohland D Ilievski “Modelling non-stationary precipitation systems: sources of error and their propagation”, Chem Eng Sci, 55, 6037-6047 (2000)
  • TS Li, AL Rohl and D Ilievski “Modelling a Constant Composition Precipitator”, Mixing and Crystallisation, Eds B Sen Gupta and S Ibrahim, Kluwer Academic Publishers, Dordrecht, 227-241 (2000)

Conference proceedings

  • M Mocerino, MI Ogden and A Oliveira “Calcite crystal growth modification using water soluble calix[4]arenes”, 11th RACI National Convention, Canberra, ACT, February 2000
  • D Couton, M Mocerinoand M Ouchi “The extraction of heavy metals by “soft” calixarenes”, 11th RACI National Convention, Canberra, ACT, February 2000
  • D Couton, C Hayward and M Mocerino “Heavy metals extraction by “soft” calixarenes”, XXV International Symposium on Macrocyclic Chemistry -Macrocycles 2000, St Andrews, UK, July 2000
  • M J McIldowie, M Mocerino, B W Skelton and A H White “Synthesis of chiral resorcinarenes”, XXV International Symposium on Macrocyclic Chemistry -Macrocycles 2000, St Andrews, UK, July 2000
  • M Mocerinoand MI Ogden “Shaping crystals with macrocycles”, XXV International Symposium on Macrocyclic Chemistry -Macrocycles 2000, St Andrews, UK, July 2000
  • MI Ogden, AL Rohl and JD Gale “Quantum Mechanical Calculations of Calix[4]arene Crystal Structure” XXV International Symposium on Macrocyclic Chemistry -Macrocycles 2000, University of St Andrews, Scotland, UK, 2-7 July 2000
  • CD Gutsche, JM Harrowfield, M Nierlich, MI Ogden, BW Skelton, P Thuery and AH White “Larger Calixarenes as “Cluster Keepers” for Actinides and Lanthanides” XXV International Symposium on Macrocyclic Chemistry -Macrocycles 2000, University of St Andrews, Scotland, UK, 2-7 July 2000
  • S Fjastad, M Mocerino, MI Ogden and A Oliveira “Water Soluble Calix[4]arenes as Calcite Crystal Growth Modifiers” XXV International Symposium on Macrocyclic Chemistry -Macrocycles 2000, University of St Andrews, Scotland, UK, 2-7 July 2000

Invited oral presentations

  • MI Ogden “Shaping Crystals with Macrocycles”, XXV International Symposium on Macrocyclic Chemistry -Macrocycles 2000, University of St Andrews, Scotland, UK, 2-7 July, 2000

1999

Journal publications

  • MY Lee and GM Parkinson “Growth rates of gibbsite single crystals determined using in situ optical microscopy” J Cryst Growth, 198/199, 270-274, (1999)
  • JD Gale, AL Rohl, HR Watling and GM Parkinson ‘Theoretical investigation of the nature of aluminium-containing species present in alkaline solution”, J Phys Chem B, 102, 10372 (1999)
  • MM Reyhani, S Freij and GM Parkinson “In situ atomic force microscopy investigation of secondary nuclei produced by contact of different growth faces of potash alum under supersaturated solutions” J Cryst Growth, 198/199, 258-263, (1999)
  • D Couton, M Mocerino, C Rapley, C Kitamura, A Yoneda, and M Ouchi “Silver and thallium ion complexation with allyloxycalix[4]arenes”, Aust J Chem, 52, 227 (1999)
  • K Kimura, K Tatsumi, M Yokiyama, M Ouchi and M Mocerino “Remarkable thallium(I) selectivity for ion sensors based on p-coordination of calix[4]arene neutral carriers “, Anal Commun, 36, 229 (1999)
  • AL Rohl, DJ Binks, S Vyas and RW Grimes “The Morphology of Zinc Chromite Spinel and Ceria Crystallites”, International Ceramic Monographs Volume 2, Eds P Walls, C Sorell and A Ruys (1999)
  • AL Rohl “Computer Simulations of the Bulk and Surface Structures of Ceramics”, International Ceramic Monographs Volume 2, Eds P Walls, C Sorell and A Ruys (1999)
  • AI Livshits, AL Shluger and AL Rohl “Contrast Mechanism in Non-Contact SFM Imaging of Ionic Surfaces”, Appl Surface Sci, 140, 327-332 (1999)
  • AI Livshits, AL Shluger, AL Rohland AS Foster “A model of non-contact Scanning Force Microscopy on ionic surfaces”, Phys Rev B, 59, 2436-2448 (1999)
  • AM Fogg, AL Rohl, GM Parkinson, D O”Hare “Predicting Guest Orientations in Layered Double Hydroxide Intercalates”, Chem Mater, 11, 1194-1200 (1999)
  • TD Dincer, GM Parkinson, AL Rohland MI Ogden “Crystallisation of a-Lactose Monohydrate from DMSO Solutions: Influence of b-Lactose”, J Crystal Growth, 205, 368-374 (1999)
  • MP Wilson, AL Rohl, AJ McKinnon and JD Gale “An Experimental and Molecular Modelling Investigation into the Inhibition of Gypsum Crystallisation by Phosphonate Additives”, Proceedings of the 14th International Symposium on Industrial Crystallization, 12-16 September 1999

Conference proceedings

  • S Freij, MY Lee, MM Reyhani and GM Parkinson “Investigation of the growth of gibbsite crystals by atomic force microscopy and optical microscopy”, Proc Fifth Int Alumina Quality Workshop, Bunbury, 41 -50 (1999)
  • JSC Loh, HR Watling and GM Parkinson “The effect of sodium, potassium and caesium on gibbsite agglomeration in Bayer solutions”, Proc Fifth Int Alumina Quality Workshop, Bunbury, 118 -128, (1999)
  • C Vernon, GM Parkinson and D Lau “Towards a fundamental rate equation for gibbsite growth in Bayer liquors”, Proc Fifth Int Alumina Quality Workshop, Bunbury, 129 -139, (1999)
  • DS Rossiter, D Ilievski and GM Parkinson “Sodium gluconate poisoning of primary and secondary nucleation of gibbsite from synthetic Bayer liquors”, Proc Fifth Int Alumina Quality Workshop, Bunbury, 171 -180, (1999)
  • MM Reyhani, AS Dwyer, GM Parkinson, SP Rosenberg, SJ Healy, L Armstrong, A Soirat, and S Rowe “Gibbsite nucleation at sodium oxalate surfaces”, Proc Fifth Int Alumina Quality Workshop, Bunbury, 181 -191, (1999)
  • A McKinnon, GM Parkinson and K Beckham “A rate equation for crystallization of sodium oxalate under Bayer conditions”, Proc Fifth Int Alumina Quality Workshop, Bunbury, 192 -200, (1999)
  • G Sipos, M Shaw, U Seydel, GM Parkinson, A McKinnon, P Smith and J Kildea “Quaternary amines as sodium oxalate seed stabilizers in Bayer liquor”, Proc Fifth Int Alumina Quality Workshop, Bunbury, 425 -436, (1999)
  • JM Harrowfield, BW Skelton, AH White, Y Kim, M-H Choi, and M Mocerino “Synthesis and characterisation of hexamine cage complexes with aromatic substituents”, RACI/NZIC Inorganic Chemistry Conference, Wellington, NZ, February 1999
  • JM Harrowfield, BW Skelton, AH White, Y Kim, M-H Choi, M Mocerinoand I-C Kim “Synthesis and characterisation of optically active cage complexes from mixed trisdiamine cobalt complexes”, RACI/NZIC Inorganic Chemistry Conference, Wellington, NZ, February 1999
  • A Oliveira, M Mocerino, and MI Ogden “Water soluble calix[4]arenes: Calcite crystal growth modifiers”, Fifth International Conference on Calixarene Chemistry, Perth, WA, September 1999
  • M McIldowie and M Mocerino “Chiral calixarenes and chromatography”, Fifth International Conference on Calixarene Chemistry, Perth, WA, September 1999
  • M Ouchi, N Kondo, C Kitamura, A Yoneda and M Mocerino “Calix[4]arene derivatives possessing high silver and thallium(I) selectivity “Fifth International Conference on Calixarene Chemistry, Perth, WA, September 1999
  • D Couton and M Mocerino “Synthesis and application of calixarenes in the extraction of heavy metals “Fifth International Conference on Calixarene Chemistry, Perth, WA, September 1999
  • PA Gale, MGB Drew, MI Ogden, HR Powell and PD Beer “Calix[4]diquinones as Building Blocks in Crystal Engineered Superstructures”, The Fifth International Conference on Calixarene Chemistry, University of Western Australia, Perth, 19-23 September, 1999
  • PA Gale, MGB Drew, MI Ogdenand L Winter “Towards Mono-, Bis-, and Tris-Amidinium Substituted Calix[4]arenes”, The Fifth International Conference on Calixarene Chemistry, University of Western Australia, Perth, 19-23 September, 1999
  • MI Ogden “Lactose Crystallization: Can computer modelling tell us what is going on?”, Dairy Industry Association of Australia, 14th Annual Western Australian Conference, March 16, 1999, Perth

1998

Journal publications

  • GM Parkinson “Crystal-macromolecule interactions in urolithiasis: lessons from healthy biomineralization systems”, Current Opinion in Urology, 8, 301-308, (1998)
  • S Friej, MM Reyhani and GM Parkinson “An AFM investigation of the mechanism of secondary nucleation induced by contact”, Appl Phys A66 S507 -511, (1998)
  • S Lloyd, SM Thurgate, RM Cornell and GM Parkinson “Atomic force microscopy of gibbsite”, Appl Surf Sci 135 178-182, (1998)
  • DS Rossiter, PD Fawell, D Ilievski and GM Parkinson “Investigation of the unseeded nucleation of gibbsite, Al(OH)3, from synthetic Bayer liquors”, J Cryst Growth 191 525-536, (1998)
  • P Thuéry, M Nierlich, MI Ogdenand JM Harrowfield “Crystal Structure of the Uranyl Ion Complex of p-tert-Butylcalix[7]arene”, Supramolec Chem, 9, 297 (1998)
  • S Vyas, RW Grimes, DH Gay and AL Rohl “Structure, Stability, and Morphology of Stoichiometric Ceria Crystallites”, J Chem Soc Faraday Trans, 94, 427-434 (1998)
  • TS Li, AL Rohland D Ilievski “Modelling a Constant Supersaturation Precipitator”, Proceedings of the International Conference on Mixing and Crystallization, Tioman, Malaysia, April 1998
  • HR Watling, SD Fleming, W van Bronswijk and AL Rohl “Ionic Structure in Caustic Aluminate Solutions and the Precipitation of Gibbsite”, J Chem Soc, Dalton Trans, 3911-3918, (1998)
  • FL Lim, S Venkatesh, GAW West, S Freij, AL Rohl, MM Reyhani and G M Parkinson “An Image Processing Approach to Monitor Crystal Growth”, Proceedings of the Fifth International Conference on Control, Automation, Robotics and Vision, Singapore, November 1998
  • MA Nygren, DH Gay, CRA Catlow, AL Rohl and MP Wilson “Incorporation of Growth Inhibiting Diphosphonates into Steps on the Calcite Cleavage Plane Surface”, J Chem Soc Faraday Trans, 94, 3685-3693 (1998)
  • JD Gale, AL Rohl, HR Watling and GM Parkinson “Theoretical Investigation of the Nature of Aluminium-Containing Species Present in Alkaline Solution”, J Phys Chem B, 102, 10372-10382 (1998)
  • X Delaigue, JM Harrowfield, MW Hosseini, M Mocerino, BW Skelton and AH White “””Soft”, calixarenes – Structural aspects of calixarene allyl ethers and thiacalixarene synthesis”, Aust J Chem, 51, 111 (1998)
  • JM Harrowfield, M Mocerino, BW Skelton and AH White “Alkylation and conformational restriction in calix[6]arene derivatives: The synthesis and structure of 1,2,4,5-tetrakis(ethoxycarbonylmethyl)-p-t-butylcalix[6]arene benzene disolvate”, Aust J Chem, 51, 123 (1998)
  • M Mocerino “Enhancing conceptual learning in organic labs”, Proceedings of the RACI Chemical Education Division 1998 National Conference, Rockhampton ISBN 1875902910

Conference proceedings

  • JM Harrowfield, S-H Jeong, Y Kim, MK Lee, M Mocerino, BW Skelton and AH White “Synthesis and characterisation of polyamine cobalt(III) complexes”, 1998 RACI Inorganic Chemistry Conference, Wollongong, NSW, February 1998
  • M Ouchi, M Kimura, C Kitamura, A, Yoneda, M Mocerino, and M Whittington “Syntheses and Cation-binding Ability of Allyl Calixarenes”, 74th Annual Meeting of the Chemical Society of Japan, Kyoto, Japan, March 1998
  • M Mocerino “Enhancing conceptual learning in organic labs”, RACI Chemical Education Division 1998 National Conference, Rockhampton, July 1998
  • M McIldowie and M Mocerino “The synthesis of chiral calixarenes for chromatographic stationary phases”, RACI Organic Chemistry Division 16th National Conference, Leura, NSW, July 1998
  • M Ladhams, M Mocerinoand M Whittington “Synthesis of calixarene derivatives for metal ion extraction”, RACI Organic Chemistry Division 16th National Conference, Leura, NSW, July 1998
  • K Kim, M-H Choi, M-K Lee, JM Harrowfield, AH White, BW Skelton and M Mocerino “Synthesis and characterisation of octaamine dicopper complexes”, 82nd Annual Meeting of the Korean Chemical Society, Soeul, Korea, October 1998

1997

Journal publications

  • KR Bauchspeiss, T Murata, GM Parkinson, P Sipos and H R Watling “Aluminium K edge XAFS of gibbsite and related compounds”, J Phys IV France 7, C2-485 (1997)
  • MY Lee, GM Parkinson, PG Smith, FJ Lincoln and MM Reyhani “Characterization of aluminium trihydroxide crystals precipitated from caustic solutions”, ACS Symposium Series – Separation and Purification by Crystallization, 667, Chapter 12, 123-133 (1997)
  • MM Reyhani and GM Parkinson “Source of nuclei in contact nucleation as revealed by crystallization of isomorphous alums”, ACS Symposium Series – Separation and Purification by Crystallization, 667, Chapter 3, 28 – 35 (1997)
  • M Mocerino “Learning in the laboratory”, Proceedings of the 6th Annual Teaching Learning Forum, Murdoch University, 1997, 222
  • M Mocerino, P Sheppard and B Thornton “Chemistry demonstrator”s workshop”, Proceedings of the 6th Annual Teaching Learning Forum, Murdoch University, 1997, 227
  • M Mocerino, B Thornton and P Sheppard “Teaching Teaching assistants”, Chem Aust 1997, 64 (3), 8
  • GM Parkinson, D Ilievski and AL Rohl “Crystallizing Minerals: From Bucket Chemistry to Molecular Engineering”, Chemistry in Australia, 64(2), 11-14 (1997)
  • SD Fleming, GM Parkinsonand AL Rohl “Predicting the Occurrence of Reflection Twins”, J Cryst Growth, 178, 402-409 (1997)
  • TD Dincer, GM Parkinson, AL Rohland MI Ogden “Crystallization of alpha-Lactose Monohydrate from DMSO Solution: Influence of b-Lactose”, Proceedings of Crystal Growth of Organic Materials 4, 25-32 (1997)
  • MGB Drew, PD Beer and MI Ogden “A Calix[4]arene with Diethylthiocarbamoylmethyloxy Substituents in the 1,3 Positions”, Acta Cryst, C53, 472-474, (1997)
  • PD Beer, M Drew and MI Ogden “First- and second-sphere co-ordination of a lanthanum cation by a calix[4]arene tetraamide in the partial-cone conformation”, J Chem Soc, Dalton Trans, 1489-1491, (1997)
  • PD Beer, PA Gale, Z Chen, MGB Drew, J Heath, MI Ogdenand HR Powell “New Ionophoric Calix[4]arenediquinones: Coordination Chemistry, Electrochemistry and X-ray Crystal Structures”, Inorg Chem, 36, 5880 (1997)

Conference proceedings

  • M Mocerino, P Sheppard and B Thornton “Chemistry demonstrator’s workshop”, Teaching Learning Forum ‘97, Murdoch, WA, February 1997
  • M Mocerino “Learning in the laboratory”, Teaching Learning Forum ‘97, Murdoch, WA, February 1997
  • Y Kim, S-H Jeong, JM Harrowfield, AH White, B Skelton and M Mocerino “Synthesis and characterisation of Co(III) complexes containing amino acid and polyamine” Korean Chemical Society Conference, Seoul, Korea, April 1997
  • M Mocerinoand M Whittington “Calixarene based chelators for metal extraction”, XXII International Symposium on Macrocyclic Chemistry, Seoul, Korea, August 1997
  • M McIldowie, M Mocerino, M Ouchi and C Rapley “Allyl calix[4]arene complexation with silver and thallium ions”, XXII International Symposium on Macrocyclic Chemistry, Seoul, Korea, August 1997
  • M Mocerino, M Whittington and A Yong “Rare earth chelators for metal extraction”, 4th International Conference on Calixarenes, Parma, Italy, September 1997
  • M McIldowie, M Mocerino, M Ouchi and C Rapley “Silver and thallium ion complexation with allyl-calixarenes”, 4th International Conference on Calixarenes, Parma, Italy, September 1997
  • M Ouchi, M Mocerino, M Whittington, M Kimura, C Kitamura and A Yoneda “Thallium(I) selective calixarenes and crown ethers”, First International Conference on Material and Life Sciences in Harima, Harima, Japan, October 1997