logo
科言猫学术研究的AI总结
language
手机端手机端
  • Phone Feature微信小程序
简体中文简体中文
notice消息通知
博客博客
delete
arrow
返回
P

Péter Pulay

leiden university - excl lumc

78H指数
278论文数
3.8W被引数
收录论文 65
发表时间
logo
Comparison of Methods for Active Orbital Selection in Multiconfigurational Calculations
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2020-11-10
err25
errOAAI
errToth, Zsuzsanna; Pulay, Peter
err分享
err收藏
Analytical Energy Gradients for the Cluster-in-Molecule MP2 Method and Its Application to Geometry Optimizations of Large Systems
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2019-05-15
err18
errOAAI
errNi, Zhigang; Wang, Yuqi; Li, Wei; Pulay, Peter; Li, Shuhua
err分享
err收藏
Automatic Construction of the Initial Orbitals for Efficient Generalized Valence Bond Calculations of Large Systems
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2018-11-27
err24
errOAAI
errWang, Qingchun; Zou, Jingxiang; Xu, Enhua; Pulay, Peter; Li, Shuhua
err分享
err收藏
Benchmark Relative Energies for Large Water Clusters with the Generalized Energy-Based Fragmentation Method
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2017-05-12
err41
PREAI
errYuan, Dandan; Li, Yunzhi; Ni, Zhigang; Pulay, Peter; Li, Wei; Li, Shuhua
err分享
err收藏
Finding symmetry breaking Hartree-Fock solutions: The case of triplet instability
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2016-10-25
err26
errOAAI
errToth, Zsuzsanna; Pulay, Peter
err分享
err收藏
Selection of active spaces for multiconfigurational wavefunctions
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2015-06-23
err102
PREAI
errKeller, Sebastian; Boguslawski, Katharina; Janowski, Tomasz; Reiher, Markus; Pulay, Peter
err分享
err收藏
Zundel-Type H-Bonding in Biomolecular Ions
errJOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY
IF2.7
err2014-07-08
err7
PREAI
errHernandez, Oscar; Pulay, Peter; Maitre, Philippe; Paizs, Bela
err分享
err收藏
Analytical derivatives, forces, force constants, molecular geometries, and related response properties in electronic structure theory
errWILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE
IF27
err2013-09-23
err70
PREAI
errPulay, Peter
err分享
err收藏
Accuracy of Quantum Chemical Methods for Large Noncovalent Complexes
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2013-07-25
err316
errOAAI
errSedlak, Robert; Janowski, Tomasz; Pitonak, Michal; Rezac, Jan; Pulay, Peter; Hobza, Pavel
err分享
err收藏
A Benchmark Comparison of σ/σ and π/π Dispersion: the Dimers of Naphthalene and Decalin, and Coronene and Perhydrocoronene
errJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF15.6
err2012-10-09
err99
errOAAI
errJanowski, Tomasz; Pulay, Peter
err分享
err收藏
The Ethidium-UA/AU Intercalation Site: Effect of Model Fragmentation and Backbone Charge State
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2011-07-01
err10
PREAI
errLangner, Karol M.; Janowski, Tomasz; Gora, Robert W.; Dziekonski, Pawel; Sokalski, W. Andrzej; Pulay, Peter
err分享
err收藏
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
err收藏
Convergence of the CCSD(T) Correction Term for the Stacked Complex Methyl Adenine-Methyl Thymine: Comparison with Lower-Cost Alternatives
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2009-06-22
err62
PREAI
errPitonak, M.; Janowski, T.; Neogrady, P.; Pulay, P.; Hobza, P.
err分享
err收藏
Efficient Parallel Implementation of the CCSD External Exchange Operator and the Perturbative Triples (T) Energy Calculation
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2008-09-20
err71
PREAI
errJanowski, Tomasz; Pulay, Peter
err分享
err收藏
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
err分享
err收藏
Parallel calculation of coupled cluster singles and doubles wave functions using array files
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2007-06-06
err67
PREAI
errJanowski, Tomasz; Ford, Alan R.; Pulay, Peter
err分享
err收藏
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
err收藏
New parallel algorithm for MP2 energy gradient calculations
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2007-04-20
err44
PREAI
errIshimura, Kazuya; Pulay, Peter; Nagase, Shigeru
err分享
err收藏
Accuracy of the three-body fragment molecular orbital method applied to Moller-Plesset perturbation theory
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2007-03-01
err84
PREAI
errFedorov, Dmitri G.; Ishimura, Kazuya; Ishida, Toyokazu; Kitaura, Kazuo; Pulay, Peter; Nagase, Shigeru
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
H
Henry F. Schaefer
H 指数: 128 · 论文数: 2.2K
P
Pavel Hobza
H 指数: 115 · 论文数: 704
S
Shigeru Nagase
H 指数: 88 · 论文数: 1.3K
M
Markus Reiher
H 指数: 82 · 论文数: 663
S
Shuhua Li
H 指数: 64 · 论文数: 854
查看更多