| Problems in the comparison of theoretical and experimental hyperpolarizabilities A Willetts, JE Rice, DM Burland, DP Shelton The Journal of chemical physics 97 (10), 7590-7599, 1992 | 726 | 1992 |
| Measurements and calculations of the hyperpolarizabilities of atoms and small molecules in the gas phase DP Shelton, JE Rice Chemical Reviews 94 (1), 3-29, 1994 | 670 | 1994 |
| Analytic evaluation of energy gradients for the single and double excitation coupled cluster (CCSD) wave function: Theory and application AC Scheiner, GE Scuseria, JE Rice, TJ Lee, HF Schaefer III The Journal of chemical physics 87 (9), 5361-5373, 1987 | 487 | 1987 |
| Ion solvation in polarizable water: molecular dynamics simulations LX Dang, JE Rice, J Caldwell, PA Kollman Journal of the American Chemical Society 113 (7), 2481-2486, 1991 | 466 | 1991 |
| The closed‐shell coupled cluster single and double excitation (CCSD) model for the description of electron correlation. A comparison with configuration interaction (CISD) results GE Scuseria, AC Scheiner, TJ Lee, JE Rice, HF Schaefer III The Journal of chemical physics 86 (5), 2881-2890, 1987 | 436 | 1987 |
| CADPAC: the Cambridge analytic derivatives package RD Amos, JE Rice Cambridge, UK, 1987 | 412 | 1987 |
| DiscoveryLink: A system for integrated access to life sciences data sources LM Haas, PM Schwarz, P Kodali, E Kotlar, JE Rice, WC Swope IBM systems Journal 40 (2), 489-511, 2001 | 400 | 2001 |
| Solvent dependence of the second order hyperpolarizability in p-nitroaniline M Stähelin, DM Burland, JE Rice Chemical physics letters 191 (3-4), 245-250, 1992 | 372 | 1992 |
| Theoretical investigations of molecules composed only of fluorine, oxygen and nitrogen: determination of the equilibrium structures of FOOF, (NO)2 and FNNF and the … TJ Lee, JE Rice, GE Scuseria, HF Schaefer Theoretica chimica acta 75, 81-98, 1989 | 370 | 1989 |
| The analytic configuration interaction gradient method: Application to the cyclic and open isomers of the S3 molecule JE Rice, RD Amos, NC Handy, TJ Lee, HF Schaefer III The Journal of chemical physics 85 (2), 963-968, 1986 | 335 | 1986 |
| Electron correlation effects in hyperpolarizabilities of p-nitroaniline F Sim, S Chin, M Dupuis, JE Rice The Journal of Physical Chemistry 97 (6), 1158-1163, 1993 | 287 | 1993 |
| The Reaction Mechanism for the Organocatalytic Ring-Opening Polymerization of l-Lactide Using a Guanidine-Based Catalyst: Hydrogen-Bonded or Covalently … A Chuma, HW Horn, WC Swope, RC Pratt, L Zhang, BGG Lohmeijer, ... Journal of the American Chemical Society 130 (21), 6749-6754, 2008 | 266 | 2008 |
| Building a more predictive protein force field: a systematic and reproducible route to AMBER-FB15 LP Wang, KA McKiernan, J Gomes, KA Beauchamp, T Head-Gordon, ... The Journal of Physical Chemistry B 121 (16), 4023-4039, 2017 | 234 | 2017 |
| The elimination of singularities in derivative calculations NC Handy, RD Amos, JF Gaw, JE Rice, ED Simandiras Chemical physics letters 120 (2), 151-158, 1985 | 219 | 1985 |
| The calculation of frequency‐dependent polarizabilities as pseudo‐energy derivatives JE Rice, NC Handy The Journal of chemical physics 94 (7), 4959-4971, 1991 | 217 | 1991 |
| On the necessity of f basis functions for bending frequencies ED Simandiras, JE Rice, TJ Lee, RD Amos, NC Handy The Journal of chemical physics 88 (5), 3187-3195, 1988 | 216 | 1988 |
| CADPAC: the Cambridge analytic derivatives package, issue 4.0 RD Amos, JE Rice Cambridge, UK, 1987 | 209 | 1987 |
| Organocatalytic depolymerization of poly (ethylene terephthalate) K Fukushima, O Coulembier, JM Lecuyer, HA Almegren, ... Journal of Polymer Science Part A: Polymer Chemistry 49 (5), 1273-1281, 2011 | 192 | 2011 |
| On the efficient evaluation of analytic energy gradients JE Rice, RD Amos Chemical physics letters 122 (6), 585-590, 1985 | 185 | 1985 |
| A theoretical study of Na(H2O)+n (n=1–4) CW Bauschlicher Jr, SR Langhoff, H Partridge, JE Rice, A Komornicki The Journal of chemical physics 95 (7), 5142-5148, 1991 | 181 | 1991 |
