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Peter M. W. Gill
Peter M. W. Gill
Schofield Professor of Theoretical Chemistry, University of Sydney
E-mail confirmado em sydney.edu.au - Página inicial
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Gaussian 94, Version B1 and D4; Gaussian
MJ Frisch, GW Trucks, HB Schlegel, PMW Gill, BG Johnson, MA Robb, ...
Inc.: Pittsburgh, PA, 1995
19542*1995
gaussian 03, Gaussian
MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ...
Inc., Wallingford, CT 371, 2004
36502004
Advances in molecular quantum chemistry contained in the Q-Chem 4 program package
Y Shao, Z Gan, E Epifanovsky, ATB Gilbert, M Wormit, J Kussmann, ...
Molecular Physics 113 (2), 184-215, 2015
31012015
Advances in methods and algorithms in a modern quantum chemistry program package
Y Shao, LF Molnar, Y Jung, J Kussmann, C Ochsenfeld, ST Brown, ...
Physical Chemistry Chemical Physics 8 (27), 3172-3191, 2006
29492006
Gaussian 03, Revision C. 02. Wallingford, CT: Gaussian
MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ...
Inc.[Google Scholar], 2004
27092004
The performance of a family of density functional methods
BG Johnson, PMW Gill, JA Pople
The Journal of chemical physics 98 (7), 5612-5626, 1993
22091993
The performance of the Becke—Lee—Yang—Parr (B—LYP) density functional theory with various basis sets
PMW Gill, BG Johnson, JA Pople, MJ Frisch
Chemical Physics Letters 197 (4-5), 499-505, 1992
10481992
Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package
E Epifanovsky, ATB Gilbert, X Feng, J Lee, Y Mao, N Mardirossian, ...
The Journal of chemical physics 155 (8), 2021
7142021
Q‐Chem 2.0: a high‐performance ab initio electronic structure program package
J Kong, CA White, AI Krylov, D Sherrill, RD Adamson, TR Furlani, MS Lee, ...
Journal of Computational Chemistry 21 (16), 1532-1548, 2000
6912000
Gaussian 98, Rev. A. 7, Gaussian
MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ...
Inc., Pittsburgh, PA, 1998
6731998
Kohn—Sham density-functional theory within a finite basis set
JA Pople, PMW Gill, BG Johnson
Chemical physics letters 199 (6), 557-560, 1992
6621992
Gaussian 03, Revision C. 02. Gaussian
KN Kudin, JC Burant, JM Millam, SS Iyengar, J Tomasi, V Barone, ...
Inc, 2004
6462004
Self-consistent field calculations of excited states using the maximum overlap method (MOM)
ATB Gilbert, NA Besley, PMW Gill
The Journal of Physical Chemistry A 112 (50), 13164-13171, 2008
5742008
A standard grid for density functional calculations
PMW Gill, BG Johnson, JA Pople
Chemical Physics Letters 209 (5-6), 506-512, 1993
5671993
gaussian 92/dft
MJ Frisch, GW Trucks, HB Schlegel, PMW Gill, BG Johnson, MW Wong, ...
Revision F 2, 1993
5111993
The continuous fast multipole method
CA White, BG Johnson, PMW Gill, M Head-Gordon
Chemical physics letters 230 (1-2), 8-16, 1994
4921994
A density functional study of the simplest hydrogen abstraction reaction. Effect of self-interaction correction
BG Johnson, CA Gonzales, PMW Gill, JA Pople
Chemical physics letters 221 (1-2), 100-108, 1994
4171994
Gaussian 03, revision c. 02; gaussian, inc.: Wallingford, ct, 2004
MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ...
Google Scholar There is no corresponding record for this reference, 2013
380*2013
Gaussian 98
MJ Frish, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ...
Revision A 9, 1998
3781998
Q‐Chem: an engine for innovation
AI Krylov, PMW Gill
Wiley Interdisciplinary Reviews: Computational Molecular Science 3 (3), 317-326, 2013
3682013
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