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J

James J. P. Stewart

institute of organic chemistry & biochemistry of the czech academy of sciences

42H指数
152论文数
4.0W被引数
收录论文 18
发表时间
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Ultrafast Electronic and Vibrational Spectroscopy of Electrochemical Transformations on a Metal-Oxide Surface during Oxygen Evolution Catalysis
errACS CATALYSIS
IF13.1
err2024-06-18
err2
PREAI
errCuk, Tanja; Paolino, Michael; Singh, Suryansh; Stewart, James; Chen, Xihan; Vinogradov, Ilya
err分享
err收藏
Moderate Electron Doping Assists in Dissociating Water on a Transition Metal Oxide Surface (n-SrTiO3)
errJOURNAL OF PHYSICAL CHEMISTRY C
IF3.2
err2023-03-06
err6
PREAI
errCourter, Christen; Stewart, James; Cuk, Tanja
err分享
err收藏
How well do semiempirical QM methods describe the structure of proteins?
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2023-01-26
err9
PREAI
errRezac, J.; Stewart, J. J. P.
err分享
err收藏
Standards-based curation of a decade-old digital repository dataset of molecular information
errJOURNAL OF CHEMINFORMATICS
IF5.7
err2015-08-27
err4
errOAAI
errHarvey, Matthew J.; Mason, Nicholas J.; McLean, Andrew; Murray-Rust, Peter; Rzepa, Henry S.; Stewart, James J. P.
err分享
err收藏
Accuracy issues involved in modeling in vivo protein structures using PM7
errPROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS
IF2.8
err2015-06-06
err16
errOAAI
errMartin, Benjamin P.; Brandon, Christopher J.; Stewart, James J. P.; Braun-Sand, Sonja B.
err分享
err收藏
Sparkle/PM7 Lanthanide Parameters for the Modeling of Complexes and Materials
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2013-07-17
err111
errOAAI
errDutra, Jose Diogo L.; Filho, Manoel A. M.; Rocha, Gerd B.; Freire, Ricardo O.; Simas, Alfredo M.; Stewart, James J. P.
err分享
err收藏
RM1: A reparameterization of AM1 for H, C, N, O, P, S, F, Cl, Br, and I
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2006-05-11
err685
PREAI
errRocha, Gerd B.; Freire, Ricardo O.; Simas, Alfredo M.; Stewart, James J. P.
err分享
err收藏
Use of semiempirical methods for detecting anomalies in reported enthalpies of formation of organic compounds
errJOURNAL OF PHYSICAL AND CHEMICAL REFERENCE DATA
IF3.2
err2004-08-13
err28
PREAI
errStewart, JJP
err分享
err收藏
AM1 - A NEW GENERAL-PURPOSE QUANTUM-MECHANICAL MOLECULAR-MODEL (VOL 107, PG 3902, 1985)
errJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF15.6
err2002-05-01
err79
PREAI
errDEWAR, MJS; ZOEBISCH, EG; HEALY, EF; STEWART, JJP
err分享
err收藏
MECHANISM OF THE DIELS-ALDER REACTION - REACTIONS OF BUTADIENE WITH ETHYLENE AND CYANOETHYLENES
errJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF15.6
err2002-05-01
err387
PREAI
errDEWAR, MJS; OLIVELLA, S; STEWART, JJP
err分享
err收藏
GROUND-STATES OF MOLECULES .68. MNDO CALCULATIONS FOR COMPOUNDS CONTAINING TIN
errJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF15.6
err2002-05-01
err72
PREAI
errDEWAR, MJS; GRADY, GL; STEWART, JJP
err分享
err收藏
MNDO CALCULATIONS OF IONS IN CHLOROALUMINATE MOLTEN-SALTS
errJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF15.6
err2002-05-01
err45
PREAI
errDAVIS, LP; DYMEK, CJ; STEWART, JJP; CLARK, HP; LAUDERDALE, WJ
err分享
err收藏
THE DEVELOPMENT AND USE OF QUANTUM-MECHANICAL MOLECULAR-MODELS .76. AM1 - A NEW GENERAL-PURPOSE QUANTUM-MECHANICAL MOLECULAR-MODEL
errJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF15.6
err2002-05-01
err1.6W
PREAI
errDEWAR, MJS; ZOEBISCH, EG; HEALY, EF; STEWART, JJP
err分享
err收藏
TUNNELING DYNAMICS OF CYCLOBUTADIENE
errJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF15.6
err2002-05-01
err69
PREAI
errDEWAR, MJS; MERZ, KM; STEWART, JJP
err分享
err收藏
A practical method for modeling solids using semiempirical methods
errJOURNAL OF MOLECULAR STRUCTURE
IF4.7
err2000-12-01
err8
PREAI
errStewart, JJP
err分享
err收藏
Symmetry groups for unit cells in solids固体中单位单元的对称组
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err1998-01-30
err6
PREAI
errStewart, JJP
err分享
err收藏
MORATE-6.5 - A NEW VERSION OF A COMPUTER-PROGRAM FOR DIRECT DYNAMICS CALCULATIONS OF CHEMICAL-REACTION RATE CONSTANTS
errCOMPUTER PHYSICS COMMUNICATIONS
IF3.4
err1995-08-01
err10
PREAI
errHU, WP; LYNCH, GC; LIU, YP; ROSSI, I; STEWART, JJP; STECKLER, R; GARRETT, BC; ISAACSON, AD; LU, DH; MELISSAS, VS; TRUHLAR, DG
err分享
err收藏
MORATE - A PROGRAM FOR DIRECT DYNAMICS CALCULATIONS OF CHEMICAL-REACTION RATES BY SEMIEMPIRICAL MOLECULAR-ORBITAL THEORY
errCOMPUTER PHYSICS COMMUNICATIONS
IF3.4
err1993-04-01
err99
PREAI
errTRUONG, TN; LU, DH; LYNCH, GC; LIU, YP; MELISSAS, VS; STEWART, JJP; STECKLER, R; GARRETT, BC; ISAACSON, AD; GONZALEZLAFONT, A; RAI, SN; HANCOCK, GC; JOSEPH, T; TRUHLAR, DG
err分享
err收藏

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