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Peter M. W. Gill
Peter M. W. Gill
Schofield Professor of Theoretical Chemistry, University of Sydney
Dirección de correo verificada de sydney.edu.au - Página principal
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Gaussian 98, revision a. 7, Gaussian
MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ...
Inc., Pittsburgh, PA 12, 1998
178171998
Gaussian 03, revision C. 02
MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ...
Gaussian, Inc., Wallingford, CT, 2004
173312004
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
27322006
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
24662015
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
21371993
Gaussian 03, Revision C. 02. Wallingford, CT: Gaussian
MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ...
Inc.[Google Scholar], 2004
21072004
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
9341992
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
6632000
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
6502013
Gaussian 03, Revision C. 02. Gaussian
KN Kudin, JC Burant, JM Millam, SS Iyengar, J Tomasi, V Barone, ...
Inc.: Wallingford, CT, 2004
6242004
Kohn—Sham density-functional theory within a finite basis set
JA Pople, PMW Gill, BG Johnson
Chemical physics letters 199 (6), 557-560, 1992
5591992
gaussian 92/dft
MJ Frisch, GW Trucks, HB Schlegel, PMW Gill, BG Johnson, MW Wong, ...
Revision F 2, 1993
5161993
A standard grid for density functional calculations
PMW Gill, BG Johnson, JA Pople
Chemical Physics Letters 209 (5-6), 506-512, 1993
5081993
The continuous fast multipole method
CA White, BG Johnson, PMW Gill, M Head-Gordon
Chemical physics letters 230 (1-2), 8-16, 1994
4621994
Intelligence in an insecure world
P Gill, M Phythian
John Wiley & Sons, 2018
4402018
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
4252008
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
4041994
Gaussian 98
MJ Frish, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ...
Revision A 9, 1998
3741998
Gaussian 92/DFT, Revision G. 2, Gaussian
MJ Frisch, GW Trucks, HB Schlegel, PMW Gill, BG Johnson, MW Wong, ...
Inc., Pittsburgh, PA, 1993
372*1993
Linear scaling density functional calculations via the continuous fast multipole method
CA White, BG Johnson, PMW Gill, M Head-Gordon
Chemical physics letters 253 (3-4), 268-278, 1996
3381996
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Artículos 1–20