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Julia E Rice
Julia E Rice
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Title
Cited by
Cited by
Year
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
7261992
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
6701994
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
4871987
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
4661991
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
4351987
CADPAC: the Cambridge analytic derivatives package
RD Amos, JE Rice
Cambridge, UK, 1987
4121987
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
4002001
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
3721992
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
3701989
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
3351986
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
2871993
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
2642008
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
2332017
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
2181985
The calculation of frequency‐dependent polarizabilities as pseudo‐energy derivatives
JE Rice, NC Handy
The Journal of chemical physics 94 (7), 4959-4971, 1991
2171991
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
2161988
CADPAC: the Cambridge analytic derivatives package, issue 4.0
RD Amos, JE Rice
Cambridge, UK, 1987
2091987
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
1912011
On the efficient evaluation of analytic energy gradients
JE Rice, RD Amos
Chemical physics letters 122 (6), 585-590, 1985
1851985
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
1811991
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Articles 1–20