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D

Dirk Bakowies

University of Basel

26H指数
47论文数
4.2K被引数
收录论文 17
发表时间
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ATOMIC-2 Protocol for Thermochemistry
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2022-06-03
err2
PREAI
errBakowies, Dirk
err分享
err收藏
Density Functional Geometries and Zero-Point Energies in Ab Initio Thermochemical Treatments of Compounds with First-Row Atoms (H, C, N, O, F)
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2021-07-14
err28
errOAAI
errBakowies, Dirk; von Lilienfeld, O. Anatole
err分享
err收藏
Estimating Systematic Error and Uncertainty in Ab Initio Thermochemistry: II. ATOMIC(hc) Enthalpies of Formation for a Large Set of Hydrocarbons
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2019-11-14
err26
PREAI
errBakowies, Dirk
err分享
err收藏
Estimating Systematic Error and Uncertainty in Ab initio Thermochemistry. I. Atomization Energies of Hydrocarbons in the ATOMIC(hc) Protocol
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2019-08-08
err11
PREAI
errBakowies, Dirk
err分享
err收藏
Torsional Potentials of Glyoxal, Oxalyl Halides, and Their Thiocarbonyl Derivatives: Challenges for Popular Density Functional Approximations
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2018-07-16
err12
PREAI
errTahchieva, Diana N.; Bakowies, Dirk; Ramakrishnan, Raghunathan; von Lilienfeld, O. Anatole
err分享
err收藏
Ab initio thermochemistry using optimal-balance models with isodesmic corrections: The ATOMIC protocol
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2009-04-13
err28
PREAI
errBakowies, Dirk
err分享
err收藏
Accurate extrapolation of electron correlation energies from small basis sets
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2007-10-25
err27
errOAAI
errBakowies, Dirk
err分享
err收藏
Extrapolation of electron correlation energies to finite and complete basis set targets
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2007-08-24
err58
PREAI
errBakowies, Dirk
err分享
err收藏
Biomolecular modeling:: Goals, problems, perspectives
errANGEWANDTE CHEMIE-INTERNATIONAL EDITION
IF16.9
err2006-06-08
err502
PREAI
errvan Gunsteren, Wilfred F.; Bakowies, Dirk; Baron, Riccardo; Chandrasekhar, Indira; Christen, Markus; Daura, Xavier; Gee, Peter; Geerke, Daan P.; Glaettli, Alice; Huenenberger, Philippe H.; Kastenholz, Mika A.; Ostenbrink, Chris; Schenk, Merijn; Trzesniak, Daniel; van der Vegt, Nico F. A.; Yu, Haibo B.
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The GROMOS software for biomolecular simulation:: GROMOS05用于生物分子模拟的GROMOS软件:: GROMOS05
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2005-10-06
err616
errOAAI
errChristen, M; Hünenberger, PH; Bakowies, D; Baron, R; Bürgi, R; Geerke, DP; Heinz, TN; Kastenholz, MA; Kräutler, V; Oostenbrink, C; Peter, C; Trzesniak, D; Van Gunsteren, WF
err分享
err收藏
Carbopeptoid folding: Effects of stereochemistry, chain length, and solvent
errANGEWANDTE CHEMIE-INTERNATIONAL EDITION
IF16.9
err2004-08-02
err22
PREAI
errBaron, R; Bakowies, D; van Gunsteren, WF
err分享
err收藏
CAN LARGE FULLERENES BE SPHERICAL
errJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF15.6
err2002-05-01
err46
PREAI
errBAKOWIES, D; BUHL, M; THIEL, W
err分享
err收藏
MNDO STUDY OF LARGE CARBON CLUSTERS
errJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF15.6
err2002-05-01
err303
PREAI
errBAKOWIES, D; THIEL, W
err分享
err收藏
Elucidating the nature of enzyme catalysis utilizing a new twist on an old methodology: Quantum mechanical - Free energy calculations on chemical reactions in enzymes and in aqueous solution
errACCOUNTS OF CHEMICAL RESEARCH
IF17.7
err2000-11-03
err118
PREAI
errKollman, PA; Kuhn, B; Donini, O; Perakyla, M; Stanton, R; Bakowies, D
err分享
err收藏
Theoretical study of base-catalyzed amide hydrolysis: Gas- and aqueous-phase hydrolysis of formamide
errJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF15.6
err1999-06-03
err107
PREAI
errBakowies, D; Kollman, PA
err分享
err收藏
Combined ab initio and free energy calculations to study reactions in enzymes and solution:: Amide hydrolysis in trypsin and aqueous solution
errJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF15.6
err1998-03-28
err124
PREAI
errStanton, RV; Peräkylä, M; Bakowies, D; Kollman, PA
err分享
err收藏
Semiempirical treatment of electrostatic potentials and partial charges in combined quantum mechanical and molecular mechanical approaches
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err1996-01-15
err86
PREAI
errBakowies, D; Thiel, W
err分享
err收藏

研究方向

暂时未获取到该数据
合作学者
合作期刊
P
Peter A. Kollman
H 指数: 116 · 论文数: 705
W
Wilfred F. van Gunsteren
H 指数: 109 · 论文数: 590
W
Walter Thiel
H 指数: 106 · 论文数: 1.3K
N
Nico F. A. van der Vegt
H 指数: 60 · 论文数: 251
O
O. Anatole von Lilienfeld
H 指数: 57 · 论文数: 264
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