David C. Clary
David C. Clary
Professor of Chemistry, University of Oxford
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Definition of the hydrogen bond (IUPAC Recommendations 2011)
E Arunan, GR Desiraju, RA Klein, J Sadlej, S Scheiner, I Alkorta, DC Clary, ...
Pure and applied chemistry 83 (8), 1637-1641, 2011
Defining the hydrogen bond: An account (IUPAC Technical Report)
E Arunan, GR Desiraju, RA Klein, J Sadlej, S Scheiner, I Alkorta, DC Clary, ...
Pure and Applied Chemistry 83 (8), 1619-1636, 2011
The water dipole moment in water clusters
JK Gregory, DC Clary, K Liu, MG Brown, RJ Saykally
Science 275 (5301), 814-817, 1997
Characterization of a cage form of the water hexamer
K Liu, MG Brown, C Carter, RJ Saykally, JK Gregory, DC Clary
Nature 381 (6582), 501-503, 1996
Potential optimized discrete variable representation
J Echave, DC Clary
Chemical physics letters 190 (3-4), 225-230, 1992
Quantum scattering calculations on chemical reactions
SC Althorpe, DC Clary
Annual review of physical chemistry 54, 493, 2003
Structure of water clusters. The contribution of many-body forces, monomer relaxation, and vibrational zero-point energy
JK Gregory, DC Clary
The Journal of Physical Chemistry 100 (46), 18014-18022, 1996
Quantum reactive scattering of four‐atom reactions with nonlinear geometry: OH+H2→H2O+H
DC Clary
The Journal of chemical physics 95 (10), 7298-7310, 1991
Rates of chemical reactions dominated by long-range intermolecular forces
DC Clary
Molecular Physics 53 (1), 3-21, 1984
Fast chemical reactions: Theory challenges experiment
DC Clary
Annual Review of Physical Chemistry 41 (1), 61-90, 1990
Encyclopedia of computational chemistry
P von Ragué Schleyer, PR Schreiner, HF Schaefer III, WL Jorgensen, ...
Calculations of rate constants for ion-molecule reactions using a combined capture and centrifugal sudden approximation
DC Clary
Molecular Physics 54 (3), 605-618, 1985
Predicting catalysis: Understanding ammonia synthesis from first-principles calculations
A Hellman, EJ Baerends, M Biczysko, T Bligaard, CH Christensen, ...
The Journal of Physical Chemistry B 110 (36), 17719-17735, 2006
Four-atom reaction dynamics
DC Clary
The Journal of Physical Chemistry 98 (42), 10678-10688, 1994
Quantum theory of chemical reaction dynamics
DC Clary
Science 279 (5358), 1879-1882, 1998
Sticking of hydrogen chloride and chlorine hydroxide to ice: A computational study
GJ Kroes, DC Clary
The Journal of Physical Chemistry 96 (17), 7079-7088, 1992
Calculations of the tunneling splittings in water dimer and trimer using diffusion Monte Carlo
JK Gregory, DC Clary
The Journal of chemical physics 102 (20), 7817-7829, 1995
Combining ab initio computations, neural networks, and diffusion Monte Carlo: An efficient method to treat weakly bound molecules
DFR Brown, MN Gibbs, DC Clary
The Journal of chemical physics 105 (17), 7597-7604, 1996
Temperature dependence of rate coefficients for reactions of ions with dipolar molecules
DC Clary, D Smith, NG Adams
Chemical physics letters 119 (4), 320-326, 1985
The dynamics of the reaction OH+ D2→ HOD+ D: Crossed beam experiments and quantum mechanical scattering calculations on ab initio potential energy surfaces
M Alagia, N Balucani, P Casavecchia, D Stranger, GG Volpi, DC Clary, ...
Chemical physics 207 (2-3), 389-409, 1996
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