Skip to content

Home Search Authors Pakistan News Saved

SciRah

SciRah does not host or store research papers. Results come live from free, official scholarly APIs, and every paper links back to its original source.

Data sources

OpenAlex
Semantic Scholar
Crossref
CORE
arXiv
PubMed

Privacy policy Terms of service

J. Rice · SciRah

Researcher profile · Semantic Scholar

J. Rice

Share profile

J. Rice — researcher profile on SciRah

h-index: 50
Works: 134
Citations: 9,085

Most-cited papers

Problems in the comparison of theoretical and experimental hyperpolarizabilities
A. Willetts, J. Rice, D. Burland, D. Shelton
1992517 citations
Semantic Scholar
Measurements and calculations of the hyperpolarizabilities of atoms and small molecules in the gas phase
D. Shelton, J. Rice
1994472 citations
Semantic Scholar
DiscoveryLink: A system for integrated access to life sciences data sources
L. Haas, P. Schwarz, P. Kodali, Elon Kotlar +2 more
2001IBM Systems Journal305 citations
Semantic Scholar
Ion solvation in polarizable water: molecular dynamics simulations
L. Dang, J. Rice, J. Caldwell, P. Kollman
1991302 citations
Semantic Scholar
The reaction mechanism for the organocatalytic ring-opening polymerization of l-lactide using a guanidine-based catalyst: hydrogen-bonded or covalently bound?
A. Chuma, Hans W. Horn, William Swope, R. Pratt +6 more
2008Journal of the American Chemical Society236 citations
Semantic Scholar
Solvent dependence of the second order hyperpolarizability in p-nitroaniline
M. Stähelin, D. Burland, J. Rice
1992235 citations
Semantic Scholar
Building a More Predictive Protein Force Field: A Systematic and Reproducible Route to AMBER-FB15
Lee-Ping Wang, K. McKiernan, Joseph Gomes, K. Beauchamp +5 more
2017Journal of Physical Chemistry B211 citations Open access
Semantic Scholar
Organocatalytic depolymerization of poly(ethylene terephthalate)
K. Fukushima, O. Coulembier, J. Lecuyer, H. Al-Megren +8 more
2011207 citations
Semantic Scholar
Electron correlation effects in hyperpolarizabilities of p-nitroaniline
Fiona Sim, S. Chin, M. Dupuis, J. Rice
1993198 citations
Semantic Scholar
Emerging quantum computing algorithms for quantum chemistry
M. Motta, J. Rice
2021WIREs Computational Molecular Science180 citations Open access
Semantic Scholar
Quantum orbital-optimized unitary coupled cluster methods in the strongly correlated regime: Can quantum algorithms outperform their classical equivalents?
I. O. Sokolov, P. Barkoutsos, Pauline J. Ollitrault, Donny Greenberg +3 more
2019Journal of Chemical Physics172 citations Open access
Semantic Scholar
The calculation of frequency‐dependent polarizabilities as pseudo‐energy derivatives
J. Rice, N. Handy
1991167 citations
Semantic Scholar
Reducing qubit requirements for quantum simulation using molecular point group symmetries.
Kanav Setia, Richard Chen, J. Rice, Antonio Mezzacapo +2 more
2019Journal of Chemical Theory and Computation140 citations Open access
Semantic Scholar
Frequency dependent hyperpolarizabilities with application to formaldehyde and methyl fluoride
J. Rice, R. Amos, S. Colwell, N. Handy +1 more
1990134 citations
Semantic Scholar
Derivation of Fixed Partial Charges for Amino Acids Accommodating a Specific Water Model and Implicit Polarization
D. Cerutti, J. Rice, William Swope, D. Case
2013Journal of Physical Chemistry B119 citations Open access
Semantic Scholar
Advanced chemical recycling of poly(ethylene terephthalate) through organocatalytic aminolysis
K. Fukushima, J. Lecuyer, D. Wei, Hans W. Horn +7 more
2013117 citations
Semantic Scholar
A theoretical study of Na(H2O)+n (n=1–4)
C. Bauschlicher, S. Langhoff, H. Partridge, J. Rice +1 more
1991108 citations
Semantic Scholar
Theoretical characterization of tetrahedral N4
Timothy J. Lee, J. Rice
1991107 citations
Semantic Scholar
Catalytic insights into acid/base conjugates: highly selective bifunctional catalysts for the ring-opening polymerization of lactide.
D. Coady, K. Fukushima, Hans W. Horn, J. Rice +1 more
2011Chemical Communications105 citations
Semantic Scholar
ff14ipq: A Self-Consistent Force Field for Condensed-Phase Simulations of Proteins
D. Cerutti, William Swope, J. Rice, D. Case
2014Journal of Chemical Theory and Computation102 citations Open access
Semantic Scholar
The calculation of frequency‐dependent hyperpolarizabilities including electron correlation effects
J. Rice, N. Handy
199299 citations
Semantic Scholar
Hydrogen-bonding catalysts based on fluorinated alcohol derivatives for living polymerization.
O. Coulembier, D. Sanders, Alshakim Nelson, Andrew N. Hollenbeck +5 more
2009Angewandte Chemie98 citations
Semantic Scholar
Calculation of vibrational dynamic hyperpolarizabilities for H2O, CO2, and NH3
D. M. Bishop, B. Kirtman, H. Kurtz, J. Rice
199395 citations
Semantic Scholar
Organic acid-catalyzed polyurethane formation via a dual-activated mechanism: unexpected preference of N-activation over O-activation of isocyanates.
H. Sardón, Amanda C. Engler, Julian M. W. Chan, Jeannette M. García +7 more
2013Journal of the American Chemical Society88 citations
Semantic Scholar
Unexpected efficiency of cyclic amidine catalysts in depolymerizing poly(ethylene terephthalate)
K. Fukushima, D. Coady, Gavin O. Jones, H. Al-Megren +5 more
201388 citations
Semantic Scholar
A study of solvent effects on hyperpolarizabilities: The reaction field model applied to acetonitrile
A. Willetts, J. Rice
199386 citations
Semantic Scholar
Alchemical prediction of hydration free energies for SAMPL
D. Mobley, Shaui Liu, D. Cerutti, William Swope +1 more
2011Journal of Computer-Aided Molecular Design84 citations Open access
Semantic Scholar
Parallel direct SCF and gradient program for workstation clusters
S. Brode, Hans W. Horn, M. Ehrig, Diane Moldrup +2 more
1993Journal of Computational Chemistry77 citations
Semantic Scholar
Polymerizing Base Sensitive Cyclic Carbonates Using Acid Catalysis.
D. Coady, Hans W. Horn, Gavin O. Jones, H. Sardón +5 more
2013ACS Macro Letters76 citations
Semantic Scholar
Mechanisms of organocatalytic amidation and trans-esterification of aromatic esters as a model for the depolymerization of poly(ethylene) terephthalate.
Hans W. Horn, Gavin O. Jones, D. Wei, K. Fukushima +4 more
2012Journal of Physical Chemistry A76 citations
Semantic Scholar
DESIGN OF OPTIMIZED PHOTOREFRACTIVE POLYMERS : A NOVEL CLASS OF CHROMOPHORES
R. Wortmann, C. Poga, R. Twieg, C. Geletneky +7 more
199676 citations
Semantic Scholar
A comparison of calculated and experimental hyperpolarizabilities for acetonitrile in gas and liquid phases
M. Staehelin, C. R. Moylan, D. Burland, A. Willetts +3 more
199369 citations
Semantic Scholar
Acyclic Guanidines as Organic Catalysts for Living Polymerization of Lactide
Lei Zhang, R. Pratt, F. Nederberg, Hans W. Horn +4 more
201068 citations
Semantic Scholar
An extensive ab initio study of the structures, vibrational spectra, quadratic force fields, and relative energetics of three isomers of Cl2O2
Timothy J. Lee, C. Rohlfing, J. Rice
199266 citations
Semantic Scholar
Binding energies and bond distances of Ni(CO)x, x=1–4: An application of coupled‐cluster theory
M. Blomberg, P. Siegbahn, Timothy J. Lee, Alistair P. Rendell +1 more
199164 citations
Semantic Scholar
Computational Investigations of the Lithium Superoxide Dimer Rearrangement on Noisy Quantum Devices.
Qi Gao, Hajime Nakamura, Tanvi P. Gujarati, Gavin O. Jones +5 more
2019Journal of Physical Chemistry A63 citations Open access
Semantic Scholar
The effect of water models on the interaction of the sodium–chloride ion pair in water: Molecular dynamics simulations
L. Dang, J. Rice, P. Kollman
199062 citations
Semantic Scholar
Catalyst Chelation Effects in Organocatalyzed Ring-Opening Polymerization of Lactide.
D. Coady, Amanda C. Engler, Hans W. Horn, K. M. Bajjuri +5 more
2012ACS Macro Letters61 citations
Semantic Scholar
Quantum computation of dominant products in lithium-sulfur batteries.
J. Rice, Tanvi P. Gujarati, M. Motta, Tyler Y. Takeshita +3 more
2020Journal of Chemical Physics59 citations Open access
Semantic Scholar
The polarizabilities of neon
P. Taylor, Timothy J. Lee, J. Rice, J. Almlöf
198955 citations
Semantic Scholar
Experimental and computational studies on the mechanism of zwitterionic ring-opening polymerization of δ-valerolactone with N-heterocyclic carbenes.
Ashwin Acharya, Young A. Chang, Gavin O. Jones, J. Rice +3 more
2014Journal of Physical Chemistry B54 citations
Semantic Scholar
Accounting for polarization cost when using fixed charge force fields. I. Method for computing energy.
William Swope, Hans W. Horn, J. Rice
2010Journal of Physical Chemistry B50 citations
Semantic Scholar
Dominant Decomposition Pathways for Ethereal Solvents in Li-O2 Batteries.
Jeannette M. García, Hans W. Horn, J. Rice
2015Journal of Physical Chemistry Letters49 citations
Semantic Scholar
Ab initio study of the molecular structure and vibrational spectrum of nitric acid and its protonated forms
Timothy J. Lee, J. Rice
199249 citations
Semantic Scholar
Quantum simulation of electronic structure with a transcorrelated Hamiltonian: improved accuracy with a smaller footprint on the quantum computer.
M. Motta, Tanvi P. Gujarati, J. Rice, Ashutosh Kumar +5 more
2020Physical Chemistry, Chemical Physics - PCCP48 citations Open access
Semantic Scholar
Ab initio determination of the nonlinear optical properties of HCl
B. Hammond, J. Rice
199241 citations
Semantic Scholar
The energy separation between the classical and nonclassical isomers of protonated acetylene. An extensive study in one‐ and n‐particle space
R. Lindh, J. Rice, Timothy J. Lee
199138 citations
Semantic Scholar
The structure of cis-butadiene
J. Rice, B. Liu, Timothy J. Lee, C. Rohlfing
198938 citations
Semantic Scholar
Frequency‐dependent hyperpolarizabilities for argon, krypton, and neon: Comparison with experiment
J. Rice
199237 citations
Semantic Scholar
Quantum chemistry simulation of ground- and excited-state properties of the sulfonium cation on a superconducting quantum processor
M. Motta, G. O. Jones, J. Rice, Tanvi P. Gujarati +4 more
2022Chemical Science36 citations Open access
Semantic Scholar

Frequent co-authors

Invite them to SciRah by sharing their profile.

Hans W. Horn×16
Invite
Hans W. Horn — researcher profile on SciRah
J. Hedrick×12
Invite
J. Hedrick — researcher profile on SciRah
Gavin O. Jones×8
Invite
Gavin O. Jones — researcher profile on SciRah
William Swope×7
Invite
William Swope — researcher profile on SciRah

×7

Invite

Timothy J. Lee — researcher profile on SciRah

K. Fukushima×6

Invite

K. Fukushima — researcher profile on SciRah

Invite

D. Coady — researcher profile on SciRah

Invite

R. Waymouth — researcher profile on SciRah

Jeannette M. García×5

Invite

Jeannette M. García — researcher profile on SciRah

Invite

D. Burland — researcher profile on SciRah

Invite

M. Motta — researcher profile on SciRah

Tanvi P. Gujarati×4

Invite

Tanvi P. Gujarati — researcher profile on SciRah