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J

Julia E. Rice

leiden university - excl lumc

55H-index
146Paper Count
1.2WCitation Count
Published Papers 29
Publication Date
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Distinguishing homolytic vs heterolytic bond dissociation of phenylsulfonium cations with localized active space methods
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2024-07-01
err0
PREAI
errWang, Qiaohong; Agarawal, Valay; Hermes, Matthew R.; Motta, Mario; Rice, Julia E.; Jones, Gavin O.; Gagliardi, Laura
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Quantum computation of reactions on surfaces using local embedding
errNPJ QUANTUM INFORMATION
IF8.3
err2023-09-12
err6
errOAAI
errGujarati, Tanvi P.; Motta, Mario; Friedhoff, Triet Nguyen; Rice, Julia E.; Nguyen, Nam; Barkoutsos, Panagiotis Kl.; Thompson, Richard J.; Smith, Tyler; Kagele, Marna; Brei, Mark; Jones, Barbara A.; Williams, Kristen
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Quantum chemistry simulation of ground- and excited-state properties of the sulfonium cation on a superconducting quantum processor
errCHEMICAL SCIENCE
IF7.4
err2023-01-01
err21
errOAAI
errMotta, Mario; Jones, Gavin O.; Rice, Julia E.; Gujarati, Tanvi P.; Sakuma, Rei; Liepuoniute, Ieva; Garcia, Jeannette M.; Ohnishi, Yu-ya
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Emerging quantum computing algorithms for quantum chemistry
errWILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE
IF27
err2021-12-08
err69
errOAAI
errMotta, Mario; Rice, Julia E.
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errSave
Quantum computation of dominant products in lithium-sulfur batteries
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2021-04-07
err46
errOAAI
errRice, Julia E.; Gujarati, Tanvi P.; Motta, Mario; Takeshita, Tyler Y.; Lee, Eunseok; Latone, Joseph A.; Garcia, Jeannette M.
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Reducing Qubit Requirements for Quantum Simulations Using Molecular Point Group Symmetries
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2020-08-24
err88
errOAAI
errSetia, Kanav; Chen, Richard; Rice, Julia E.; Mezzacapo, Antonio; Pistoia, Marco; Whitfield, James D.
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Quantum orbital-optimized unitary coupled cluster methods in the strongly correlated regime: Can quantum algorithms outperform their classical equivalents?
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2020-03-25
err123
errOAAI
errSokolov, Igor O.; Barkoutsos, Panagiotis Kl; Ollitrault, Pauline J.; Greenberg, Donny; Rice, Julia; Pistoia, Marco; Tavernelli, Ivano
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errSave
Identifying Molecular Structural Aromaticity for Hydrocarbon Classification
errACS OMEGA
IF4.3
err2018-11-27
err19
errOAAI
errFortenberry, Ryan C.; Novak, Carlie M.; Lee, Timothy J.; Bera, Partha P.; Rice, Julia E.
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Dominant Decomposition Pathways for Ethereal Solvents in Li-O2 Batteries
errJOURNAL OF PHYSICAL CHEMISTRY LETTERS
IF4.6
err2015-04-30
err53
PREAI
errGarcia, Jeannette M.; Horn, Hans W.; Rice, Julia E.
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errSave
ff14ipq: A Self-Consistent Force Field for Condensed-Phase Simulations of Proteins
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2014-10-02
err97
errOAAI
errCerutti, David S.; Swope, William C.; Rice, Julia E.; Case, David A.
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Organic Acid-Catalyzed Polyurethane Formation via a Dual-Activated Mechanism: Unexpected Preference of N-Activation over O-Activation of Isocyanates
errJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF15.6
err2013-10-22
err85
PREAI
errSardon, Haritz; Engler, Amanda C.; Chan, Julian M. W.; Garcia, Jeannette M.; Coady, Daniel J.; Pascual, Ana; Mecerreyes, David; Jones, Gavin O.; Rice, Julia E.; Horn, Hans W.; Hedrick, James L.
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Computational Investigations on Base-Catalyzed Diaryl Ether Formation
errJOURNAL OF ORGANIC CHEMISTRY
IF3.6
err2013-05-17
err18
PREAI
errJones, Gavin O.; Al Somaa, Ali; O'Brien, Jeannette M.; Albishi, Hassan; Al-Megren, Hamid A.; Alabdulrahman, Abdullah M.; Alsewailem, Fares D.; Hedrick, James L.; Rice, Julia E.; Horn, Hans W.
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Molecular Dynamics Simulations of Star Polymeric Molecules with Diblock Arms, a Comparative Study
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2012-06-08
err18
PREAI
errSwope, William C.; Carr, Amber C.; Parker, Amanda J.; Sly, Joseph; Miller, Robert D.; Rice, Julia E.
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errSave
QM/MM-Based Fitting of Atomic Polarizabilities for Use in Condensed-Phase Biomolecular Simulation
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2012-04-27
err18
PREAI
errVosmeer, C. Ruben; Rustenburg, Arien S.; Rice, Julia E.; Horn, Hans W.; Swope, William C.; Geerke, Daan P.
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errSave
Alchemical prediction of hydration free energies for SAMPL
errJOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN
IF3.1
err2011-12-24
err80
errOAAI
errMobley, David L.; Liu, Shaui; Cerutti, David S.; Swope, William C.; Rice, Julia E.
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errSave
Catalytic insights into acid/base conjugates: highly selective bifunctional catalysts for the ring-opening polymerization of lactide
errCHEMICAL COMMUNICATIONS
IF4.2
err2011-01-01
err123
PREAI
errCoady, Daniel J.; Fukushima, Kazuki; Horn, Hans W.; Rice, Julia E.; Hedrick, James L.
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errSave
Acyclic Guanidines as Organic Catalysts for Living Polymerization of Lactide
errMACROMOLECULES
IF5.2
err2010-01-05
err87
PREAI
errZhang, Lei; Pratt, Russell C.; Nederberg, Fredrik; Horn, Hans W.; Rice, Julia E.; Waymouth, Robert M.; Wade, Charles G.; Hedrick, James L.
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errSave
Hydrogen-Bonding Catalysts Based on Fluorinated Alcohol Derivatives for Living Polymerization
errANGEWANDTE CHEMIE-INTERNATIONAL EDITION
IF16.9
err2009-06-25
err118
PREAI
errCoulembier, Olivier; Sanders, Daniel R.; Nelson, Alshakim; Hollenbeck, Andrew N.; Horn, Hans W.; Rice, Julia E.; Fujiwara, Masaki; Dubois, Philippe; Hedrick, James L.
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The reaction mechanism for the organocatalytic ring-opening polymerization of L-lactide using a guanidine-based catalyst: Hydrogen-bonded or covalently bound?
errJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF15.6
err2008-05-03
err258
PREAI
errChuma, Anthony; Horn, Hans W.; Swope, William C.; Pratt, Russell C.; Zhang, Lei; Lohmeijer, Bas G. G.; Wade, Charles G.; Waymouth, Robert M.; Hedrick, James L.; Rice, Julia E.
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errSave
Fast 3D molecular superposition and similarity search in databases of flexible molecules
errJOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN
IF3.1
err2003-01-01
err46
PREAI
errKrämer, A; Horn, HW; Rice, JE
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errSave

Research Directions

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Co-authors
Cooperation Journals
H
Henry F. Schaefer
H-index: 128 · Papers: 2.2K
P
Philippe Dúbois
H-index: 123 · Papers: 1.5K
P
Peter A. Kollman
H-index: 116 · Papers: 705
J
James L. Hedrick
H-index: 109 · Papers: 516
D
David A. Case
H-index: 107 · Papers: 518
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