Raiteri, Paolo - Curtin University - Department of Chemistry

研究领域

Computational geochemistry Nucleation and growth in acqueous solution Materials for energy storage Advanced computational techniques

近期论文

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Raiteri, P., R. Martonák, and M. Parrinello. 2005.“Exploring polymorphism: The case of benzene.”Angewandte Chemie - International Edition 44 (24): 3769-3773. Stack, A. G., P. Raiteri, and J. D. Gale. 2012.“Accurate Rates of the Complex Mechanisms for Growth and Dissolution of Minerals Using a Combination of Rare-Event Theories.”Journal of the American Chemical Society 134: 11-14. Raiteri, P., and J. D. Gale. 2010.“Water Is the Key to Nonclassical Nucleation of Amorphous Calcium Carbonate.”Journal of the American Chemical Society 132: 17623-17634. Demichelis, R., P. Raiteri, J. D. Gale, D. Quigley, and D. Gebauer. 2011.“Stable prenucleation mineral clusters are liquid-like ionic polymers.”Nature Communications 2 (1). 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. Fiorini, V., S. Zacchini, P. Raiter, R. Mazzoni, V. Zanotti, M. Massi, and S. Stagni. 2016.“Negatively charged Ir(III) cyclometalated complexes containing a chelating bis-tetrazolato ligand: Synthesis, photophysics and the study of reactivity with electrophiles.”Dalton Transactions 45 (32): 12884-12896. Zhu, Q., A. Shtukenberg, D. J. Carter, T. Yu, J. Yang, M. Chen, P. Raiteri, A. Oganov, B. Pokroy, I. Polishchuk et al. 2016.“Resorcinol Crystallization from the Melt: A New Ambient Phase and New "Riddles".”Journal of the American Chemical Society 138 (14): 4881-4889. Simpson, P., B. Skelton, P. Raiteri, and M. Massi. 2016.“Photophysical and Photochemical Studies of Tricarbonyl Rhenium(I) N-Heterocyclic Carbene Complexes Containing Azide and Triazolate Ligands.”New Journal of Chemistry 40 (7): 5797-5807. Olson, I., A. Shtukenberg, G. Hakobyan, A. L. Rohl, P. Raiter, M. Ward, and B. Kahr. 2016.“Structure, Energetics, and Dynamics of Screw Dislocations in even n-Alkane Crystals.”The Journal of Physical Chemistry Letters 7 (16): 3112-3117. Werrett, M. V., P. J. Wright, P. Simpson, P. Raiteri, B. Skelton, S. Stagni, A. Buckley, P. Rigby, and M. Massi. 2015.“Rhenium tetrazolato complexes coordinated to thioalkyl-functionalised phenanthroline ligands: Synthesis, photophysical characterisation, and incubation in live HeLa cells.”Dalton Transactions 44 (47): 20636-20647. Raiteri, P., R. Demichelis, and J. D. Gale. 2015.“Thermodynamically Consistent Force Field for Molecular Dynamics Simulations of Alkaline-Earth Carbonates and Their Aqueous Speciation.”Journal of Physical Chemistry C 119 (43): 24447-24458. Xiao, W., C. Hu, D. J. Carter, S. Nichols, M. D. Ward, P. Raiteri, A. L. Rohl, and B. Kahr. 2014.“Structural Correspondence of Solution, Liquid Crystal, and Crystalline Phases of the Chromonic Mesogen Sunset Yellow.”Crystal Growth and Design 14: 4166-4176. Vaughan, J., B. Reid, P. J. Wright, S. Ramchandani, B. W. Skelton, P. Raiteri, S. Muzzioli, D. H. Brown, S. Stagni, and M. Massi. 2014.“Photophysical and Photochemical Trends in Tricarbonyl Rhenium(I) N-Heterocyclic Carbene Complexes.”Inorganic Chemistry 53 (7): 3629-3641. Werrett, M. V., S. Muzzioli, P. J. Wright, A. Palazzi, P. Raiteri, S. Zacchini, M. Massi, and S. Stagni. 2014.“Proton-induced reversible modulation of the luminescent output of rhenium(i), iridium(iii), and ruthenium(ii) tetrazolate complexes.”Inorganic Chemistry 53 (1): 229-243. Demichelis, R., P. Raiteri, and J. D. Gale. 2014.“Structure of hydrated calcium carbonates: A first-principles study.”Journal of Crystal Growth 401: 33-37. Ottochian, A., G. Dezanneau, C. Gilles, P. Raiteri, C. Knight, and J. D. Gale. 2014.“Influence of isotropic and biaxial strain on proton conduction in Y-doped BaZrO3: a reactive molecular dynamics study.”Journal of Materials Chemistry A 2: 3127-3133. De La Pierre, M., R. Demichelis, U. Wehrmeister, D. E. Jacob, P. Raiteri, J. D. Gale, and R. Orlando. 2014.“Probing the Multiple Structures of Vaterite through Combined Computational and Experimental Raman Spectroscopy.”The Journal of Physical Chemistry C 118: 27493-27501. Demichelis, R., P. Raiteri, J. D. Gale, and R. Dovesi. 2013.“The Multiple Structures of Vaterite.”Crystal Growth and Design 13 (6): 2247-2251. 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.