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J

Jon Baker

University of Arkansas System

38H指数
123论文数
9.7K被引数
收录论文 26
发表时间
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An Efficient Parallel Algorithm for the Calculation of Unrestricted Canonical MP2 Energies
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2011-08-27
err2
PREAI
errBaker, Jon; Wolinski, Krzysztof
err分享
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Recent developments in the PQS program
errWILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE
IF27
err2011-06-28
err20
PREAI
errBaker, Jon; Janowski, Tomasz; Wolinski, Krzysztof; Pulay, Peter
err分享
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Isomerization of Stilbene Using Enforced Geometry Optimization
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2010-11-17
err35
PREAI
errBaker, Jon; Wolinski, Krzysztof
err分享
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Comments on the Molecular Geometry of Ferrocene: The Dangers of Using Quantum Chemistry Programs as Black Boxes
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2008-09-08
err23
PREAI
errMartin, Jason; Baker, Jon; Pulay, Peter
err分享
err收藏
Software News and Update Quantum Chemistry in Parallel with PQS
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2008-07-09
err102
PREAI
errBaker, Jon; Wolinski, Krzysztof; Malagoli, Massimo; Kinghorn, Don; Wolinski, Pawel; Magyarfalvi, Gabor; Saebo, Svein; Janowski, Tomasz; Pulay, Peter
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Parallel DFT gradients using the Fourier transform coulomb method
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2007-05-07
err8
PREAI
errBaker, Jon; Wolinsk, Krzysztof; Pulay, Peter
err分享
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The interpretation of compliance constants and their suitability for characterizing hydrogen bonds and other weak interactions
errJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF15.6
err2006-08-12
err42
PREAI
errBaker, Jon; Pulay, Peter
err分享
err收藏
Rare-gas insertion compounds of perfluorobenzene: Aromaticity of some unstable species
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2005-10-31
err16
PREAI
errBaker, J; Fowler, PW; Soncini, A; Lillington, M
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Study of IgM aggregation in serum of patients with macroglobulinemia
errCLINICAL CHEMISTRY AND LABORATORY MEDICINE
IF3.7
err2005-06-01
err16
PREAI
errSharma, L; Baker, J; Brooks, AM; Sharma, A
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Accuracy and efficiency of atomic basis set methods versus plane wave calculations with ultrasoft pseudopotentials for DNA base molecules原子基集方法与DNA碱基分子超软伪原子的平面波计算的准确性和效率
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2005-02-28
err16
PREAI
errPulay, P; Saebo, S; Malagoli, M; Baker, J
err分享
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An efficient atomic orbital based second-order Moller-Plesset gradient program
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2004-06-22
err29
PREAI
errSaebo, S; Baker, J; Wolinski, K; Pulay, P
err分享
err收藏
Assessment of the OLYP and O3LYP density functionals for first-row transition metals
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2003-05-23
err72
PREAI
errBaker, J; Pulay, P
err分享
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An improved 6-31G* basis set for first-row transition metals
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2003-05-01
err173
PREAI
errMitin, AV; Baker, J; Pulay, P
err分享
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Calculated and experimental geometries and infrared spectra of metal tris-acetylacetonates: vibrational spectroscopy as a probe of molecular structure for ionic complexes. Part II
errSPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
IF4.6
err2003-01-01
err46
PREAI
errDiaz-Acosta, I; Baker, J; Hinton, JF; Pulay, P
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Parallel stored-integral and semidirect Hartree-Fock and DFT methods with data compression
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2002-12-09
err13
PREAI
errMitin, AV; Baker, J; Wolinski, K; Pulay, P
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Assessment of the Handy-Cohen optimized exchange density functional for organic reactions
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2002-07-22
err141
PREAI
errBaker, J; Pulay, P
err分享
err收藏
An efficient parallel algorithm for the calculation of canonical MP2 energies
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2002-06-26
err42
PREAI
errBaker, J; Pulay, P
err分享
err收藏
Geometry optimization of large biomolecules in redundant internal coordinates
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2000-10-22
err47
PREAI
errPaizs, B; Baker, J; Suhai, S; Pulay, P
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Efficient geometry optimization of molecular clusters
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2000-01-15
err17
PREAI
errBaker, J; Pulay, P
err分享
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Q-chem 2.0:: A high-performance ab initio electronic structure program packageQ-chem 2.0:: 一种高性能从头算电子结构程序包
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2000-01-01
err694
PREAI
errKong, J; White, CA; Krylov, AI; Sherrill, D; Adamson, RD; Furlani, TR; Lee, MS; Lee, AM; Gwaltney, SR; Adams, TR; Ochsenfeld, C; Gilbert, ATB; Kedziora, GS; Rassolov, VA; Maurice, DR; Nair, N; Shao, YH; Besley, NA; Maslen, PE; Dombroski, JP; Daschel, H; Zhang, WM; Korambath, PP; Baker, J; Byrd, EFC; Van Voorhis, T; Oumi, M; Hirata, S; Hsu, CP; Ishikawa, N; Florian, J; Warshel, A; Johnson, BG; Gill, PMW; Head-Gordon, M; Pople, JA
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研究方向

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合作学者
合作期刊
J
John A. Pople
H 指数: 142 · 论文数: 735
M
Martin Head‐Gordon
H 指数: 130 · 论文数: 1.0K
A
Arieh Warshel
H 指数: 123 · 论文数: 594
C
C. David Sherrill
H 指数: 85 · 论文数: 286
A
Anna I. Krylov
H 指数: 80 · 论文数: 511
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