Krzysztof Woliński - Publications, H-index & Citations

Krzysztof Woliński

jerzy haber institute of catalysis & surface chemistry

24H指数

72论文数

1.2W被引数

收录论文 17

发表时间

Search for transition states with external forces

JOURNAL OF COMPUTATIONAL CHEMISTRY

IF4.8

2022-02-18

PREAI

Brzyska, Agnieszka; Wolinski, Krzysztof

Simulation of the conformational flexibility of the mycodextran under external forces

BIOPOLYMERS

IF3.2

2020-05-05

PREAI

Brzyska, Agnieszka; Wolinski, Krzysztof

Isomerization and Decomposition of 2-Methylfuran with External Forces

JOURNAL OF CHEMICAL INFORMATION AND MODELING

IF5.3

2019-06-25

PREAI

Brzyska, Agnieszka; Wolinski, Krzysztof

An Efficient Parallel Algorithm for the Calculation of Unrestricted Canonical MP2 Energies

JOURNAL OF COMPUTATIONAL CHEMISTRY

IF4.8

2011-08-27

PREAI

Baker, Jon; Wolinski, Krzysztof

Recent developments in the PQS program

WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE

IF27

2011-06-28

PREAI

Baker, Jon; Janowski, Tomasz; Wolinski, Krzysztof; Pulay, Peter

Isomerization of Stilbene Using Enforced Geometry Optimization

JOURNAL OF COMPUTATIONAL CHEMISTRY

IF4.8

2010-11-17

PREAI

Baker, Jon; Wolinski, Krzysztof

Software News and Update Quantum Chemistry in Parallel with PQS

JOURNAL OF COMPUTATIONAL CHEMISTRY

IF4.8

2008-07-09

102

PREAI

Baker, Jon; Wolinski, Krzysztof; Malagoli, Massimo; Kinghorn, Don; Wolinski, Pawel; Magyarfalvi, Gabor; Saebo, Svein; Janowski, Tomasz; Pulay, Peter

Parallel DFT gradients using the Fourier transform coulomb method

JOURNAL OF COMPUTATIONAL CHEMISTRY

IF4.8

2007-05-07

PREAI

Baker, Jon; Wolinsk, Krzysztof; Pulay, Peter

An efficient atomic orbital based second-order Moller-Plesset gradient program

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2004-06-22

PREAI

Saebo, S; Baker, J; Wolinski, K; Pulay, P

Second-order Moller-Plesset calculations with dual basis sets

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2003-06-01

106

PREAI

Wolinski, K; Pulay, P

Parallel stored-integral and semidirect Hartree-Fock and DFT methods with data compression

JOURNAL OF COMPUTATIONAL CHEMISTRY

IF4.8

2002-12-09

PREAI

Mitin, AV; Baker, J; Wolinski, K; Pulay, P

Relationship between magnetic shielding and magnetizability

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2002-08-01

PREAI

Janowski, T; Wolinski, K

EFFICIENT IMPLEMENTATION OF THE GAUGE-INDEPENDENT ATOMIC ORBITAL METHOD FOR NMR CHEMICAL-SHIFT CALCULATIONS 用于NMR化学位移计算的与量规无关的原子轨道方法的有效实现

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

IF15.6

2002-05-01

6.5K

PREAI

WOLINSKI, K; HINTON, JF; PULAY, P

EVALUATION OF THE DIPEPTIDE APPROXIMATION IN PEPTIDE MODELING BY ABINITIO GEOMETRY OPTIMIZATIONS OF OLIGOPEPTIDES

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

IF15.6

2002-05-01

PREAI

SCHAFER, L; NEWTON, SQ; CAO, M; PEETERS, A; VANALSENOY, C; WOLINSKI, K; MOMANY, FA

ABINITIO QUANTUM-MECHANICAL CALCULATION OF THE CHEMICAL-SHIFT ANISOTROPY OF THE HYDROGEN-ATOM IN THE (H2O)17 CLUSTER

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

IF15.6

2002-05-01

PREAI

HINTON, JF; GUTHRIE, P; PULAY, P; WOLINSKI, K

Methods for parallel computation of SCF NMR chemical shifts by GIAO method: Efficient integral calculation, multi-Fock algorithm, and pseudodiagonalization

JOURNAL OF COMPUTATIONAL CHEMISTRY

IF4.8

1997-04-30

PREAI

Wolinski, K; Haacke, R; Hinton, JF; Pulay, P

Magnetic shielding surface in molecules. Neutron as a probe in the hypothetical magnetic resonance spectroscopy

JOURNAL OF CHEMICAL PHYSICS

IF3.1

1997-04-08

PREAI

Wolinski, K

研究方向