| 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 | 2220 | 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 | 1200 | 2011 |
| The water dipole moment in water clusters JK Gregory, DC Clary, K Liu, MG Brown, RJ Saykally Science 275 (5301), 814-817, 1997 | 879 | 1997 |
| Encyclopedia of computational chemistry P von Ragué Schleyer, NL Allinger, T Clark, J Gasteiger, P Kollman, ... J. Wiley & Sons, 1998 | 825* | 1998 |
| 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 | 769 | 1996 |
| Potential optimized discrete variable representation J Echave, DC Clary Chemical physics letters 190 (3-4), 225-230, 1992 | 673 | 1992 |
| Quantum scattering calculations on chemical reactions SC Althorpe, DC Clary Annual review of physical chemistry 54 (1), 493-529, 2003 | 450 | 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 | 297 | 1996 |
| Fast chemical reactions: theory challenges experiment DC Clary Annual Review of Physical Chemistry 41 (1), 61-90, 1990 | 285 | 1990 |
| Rates of chemical reactions dominated by long-range intermolecular forces DC Clary Molecular Physics 53 (1), 3-21, 1984 | 274 | 1984 |
| 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 | 267 | 1991 |
| 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 | 243 | 2006 |
| 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 | 238 | 1985 |
| Computational molecular spectroscopy V Barone, S Alessandrini, M Biczysko, JR Cheeseman, DC Clary, ... Nature Reviews Methods Primers 1 (1), 38, 2021 | 221 | 2021 |
| Four-atom reaction dynamics DC Clary The Journal of Physical Chemistry 98 (42), 10678-10688, 1994 | 207 | 1994 |
| Quantum theory of chemical reaction dynamics DC Clary Science 279 (5358), 1879-1882, 1998 | 182 | 1998 |
| 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 | 181 | 1996 |
| 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 | 177 | 1995 |
| 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 | 176 | 1992 |
| 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 | 155 | 1985 |