Wheatley, Richard - University of Nottingham

个人简介

Dr. Richard Wheatley graduated with first class honours in Natural Sciences from the University of Cambridge in 1987. He remained in Cambridge and, under the supervision of Dr. S. L. Price, gained his Ph.D. in 1990. There followed postdoctoral research with Professor W. J. Meath, of the University of Western Ontario between 1990 and 1992. In 1992, he returned to the UK as an EPSRC Research Fellow at the University of Durham, being appointed there as a Lecturer in Physical Chemistry in 1994. In 1995, he was appointed as a Lecturer in Physical Chemistry in the School of Chemistry of the University of Nottingham, and in 2003, he took up his current position as a Reader in Theoretical Chemistry.

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QU, LIU, CHOY, KWANG-LEONG and WHEATLEY, RICHARD, 2016. An Atomistic-Scale Study for Thermal Conductivity and Thermochemical Compatibility in (DyY)Zr2O7 Combining an Experimental Approach with Theoretical Calculation SCIENTIFIC REPORTS. 6, 21232 JING WANG, FANG XU, RICHARD J. WHEATLEY, KWANG-LEONG CHOY, NIGEL NEATE and XIANGHUI HOU, 2015. Investigation of La3+ Doped Yb2Sn2O7 as New Thermal Barrier Materials Materials and Design. 85, 423-430 DO, H. and WHEATLEY, R.J., 2013. Density of states partitioning method for calculating the free energy of solids Journal of Chemical Theory and Computation. 9(1), 165-171 WHEATLEY, R.J., 2013. Calculation of high-order virial coefficients with applications to hard and soft spheres Physical Review Letters. 110(20), 200601 RICHARD J. WHEATLEY and ANGELICA A. GOPAL, 2012. Covalent bond orders and atomic anisotropies from iterated stockholder atoms Phys. Chem. Chem. Phys.. 14, 2087-2091 HAINAM DO, HIRST, JONATHAN D. and WHEATLEY, RICHARD J., 2012. Calculation of Partition Functions and Free Energies of a Binary Mixture Using the Energy Partitioning Method: Application to Carbon Dioxide and Methane JOURNAL OF PHYSICAL CHEMISTRY B. 116(15), 4535-4542 WHEATLEY, R.J. and HARVEY, A.H., 2011. Intermolecular potential energy surface and second virial coefficients for the water-CO2 dimer Journal of Chemical Physics. 134(13), 134309 OAKLEY, M. T., DO, H., HIRST, J. D. and WHEATLEY, R. J., 2011. First principles predictions of thermophysical properties of refrigerant mixtures. J. Chem. Phys.. 134(11), 114518 DO, H., WHEATLEY, R. J. and HIRST, J. D., 2011. Molecular simulation of the binary mixture of 1-1-1-2-tetrafluoroethane and carbon dioxide. Phys. Chem. Chem. Phys.. 13(34), 15708-15713 DO, H., HIRST, J.D. and WHEATLEY, R.J., 2011. Rapid calculation of partition functions and free energies of fluids Journal of Chemical Physics. 135(17), 174105 OAKLEY, M. T., DO, H. and WHEATLEY, R. J., 2010. First principles models of the interactions of methane and carbon dioxide Fluid Phase Equilibria. 290(1-2), 48-54 DO, H., WHEATLEY, R. J. and HIRST, J. D., 2010. Microscopic structure of liquid 1-1-1-2-tetrafluoroethane (R134a) from Monte Carlo simulation. Phys. Chem. Chem. Phys.. 12(40), 13266-13272 DO, H., WHEATLEY, R. J. and HIRST, J. D., 2010. Gibbs ensemble Monte Carlo simulations of binary mixtures of methane, difluoromethane, and carbon dioxide J. Phys. Chem. B. 114(11), 3879-3886 TULEGENOV, A. S., WHEATLEY, R. J. and NAURYZBAEV, M. K., 2009. Intermolecular potential and ab initio spectroscopy of the Ne-HF complex Chem. Phys. Letts.. 468(4-6), 290-293 OAKLEY, M. T. and WHEATLEY, R. J., 2009. Additive and nonadditive models of vapor-liquid equilibrium in CO2 from first principles J. Chem. Phys.. 130(3), 034110 LILLESTOLEN, T. C. and WHEATLEY, R. J., 2009. Atomic charge densities produced using an iterative stockholder procedure. J. Chem. Phys.. 131(14), 144101 WHEATLEY, R. J. and HARVEY, A. H., 2009. Intermolecular potential energy surface and second virial coefficients for the nonrigid water-CO dimer J. Chem. Phys.. 131(15), 154305 LILLESTOLEN, T.C. and WHEATLEY, R.J., 2008. Redefining the atom: atomic charge densities produced by an iterative stockholder approach Chemical Communications. 2008(45), 5909-5911 WHEATLEY, R.J. and LILLESTOLEN, T.C., 2008. Local polarizabilities and dispersion energy coefficients Molecular Physics. 106(12-13), 1545-1556 WHEATLEY, RJ, 2008. Time-Dependent Coupled-Cluster Calculations Of Polarizabilities And Dispersion Energy Coefficients Journal Of Computational Chemistry. 29(3), 445-450 LILLESTOLEN, T.C. and WHEATLEY, R.J., 2007. First-principles calculation of local atomic polarizabilities. Journal of Physical Chemistry A. 111(43), 11141-11146 TULEGENOV, A.S., WHEATLEY, R.J., HODGES, M.P. and HARVEY, A.H., 2007. Intermolecular potential and second virial coefficient of the water-nitrogen complex Journal of Chemical Physics. 126(9), 094305 WHEATLEY, R.J., 2007. Time-dependent coupled-cluster calculations of polarizabilities and dispersion energy coefficients Journal of Computational Chemistry. (In Press.) WHEATLEY, R. J. and LILLESTOLEN, T. C., 2007. Calculating intermolecular potentials with SIMPER: the water-nitrogen and water-oxygen interactions, dispersion energy coefficients, and preliminary results for larger molecules INTERNATIONAL REVIEWS IN PHYSICAL CHEMISTRY. VOL 26(NUMBER 3), 449-485 MUSGRAVE, A., BERGERON, D.E., WHEATLEY, R.J. and WRIGHT, T.G., 2005. Electronic spectroscopy of the deuterated isotopomers of the NO-methane molecular complex Journal of Chemical Physics. 123(20), 204305