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George Petersson
George Petersson
Disinguished Adjunct Professor, Temple University Institute for Computational Molecular Science
E-mail confirmado em temple.edu
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A complete basis set model chemistry. II. Open‐shell systems and the total energies of the first‐row atoms
GA Petersson, MA Al‐Laham
The Journal of chemical physics 94 (9), 6081-6090, 1991
32361991
A complete basis set model chemistry. I. The total energies of closed‐shell atoms and hydrides of the first‐row elements
GA Petersson, A Bennett, TG Tensfeldt, MA Al‐Laham, WA Shirley, ...
The Journal of chemical physics 89 (4), 2193-2218, 1988
31311988
A complete basis set model chemistry. VI. Use of density functional geometries and frequencies
JA Montgomery Jr, MJ Frisch, JW Ochterski, GA Petersson
The Journal of chemical physics 110 (6), 2822-2827, 1999
29361999
A complete basis set model chemistry. VII. Use of the minimum population localization method
JA Montgomery, MJ Frisch, JW Ochterski, GA Petersson
The Journal of Chemical Physics 112 (15), 6532-6542, 2000
21012000
A complete basis set model chemistry. V. Extensions to six or more heavy atoms
JW Ochterski, GA Petersson, JA Montgomery Jr
The Journal of chemical physics 104 (7), 2598-2619, 1996
18341996
A complete basis set model chemistry. IV. An improved atomic pair natural orbital method
JA Montgomery Jr, JW Ochterski, GA Petersson
The Journal of chemical physics 101 (7), 5900-5909, 1994
9021994
A complete basis set model chemistry. III. The complete basis set‐quadratic configuration interaction family of methods
GA Petersson, TG Tensfeldt, JA Montgomery Jr
The Journal of chemical physics 94 (9), 6091-6101, 1991
7381991
A density functional with spherical atom dispersion terms
A Austin, GA Petersson, MJ Frisch, FJ Dobek, G Scalmani, K Throssell
Journal of chemical theory and computation 8 (12), 4989-5007, 2012
5512012
Complete basis set correlation energies. I. The asymptotic convergence of pair natural orbital expansions
MR Nyden, GA Petersson
The Journal of Chemical Physics 75 (4), 1843-1862, 1981
5111981
Calibration and comparison of the Gaussian-2, complete basis set, and density functional methods for computational thermochemistry
GA Petersson, DK Malick, WG Wilson, JW Ochterski, JA Montgomery Jr, ...
The Journal of chemical physics 109 (24), 10570-10579, 1998
4121998
A comparison of model chemistries
JW Ochterski, GA Petersson, KB Wiberg
Journal of the American Chemical Society 117 (45), 11299-11308, 1995
3471995
Unrestricted coupled cluster and Brueckner doubles variations of W1 theory
EC Barnes, GA Petersson, JA Montgomery Jr, MJ Frisch, JML Martin
Journal of chemical theory and computation 5 (10), 2687-2693, 2009
2742009
A restricted-open-shell complete-basis-set model chemistry
GPF Wood, L Radom, GA Petersson, EC Barnes, MJ Frisch, ...
The Journal of chemical physics 125 (9), 2006
2562006
Transition states for chemical reactions I. Geometry and classical barrier height
DK Malick, GA Petersson, JA Montgomery
The Journal of chemical physics 108 (14), 5704-5713, 1998
2091998
General methods of synthetic analysis. Strategic bond disconnections for bridged polycyclic structures
EJ Corey, WJ Howe, HW Orf, DA Pensak, G Petersson
Journal of the American Chemical Society 97 (21), 6116-6124, 1975
1501975
Uniformly convergent n-tuple-ζ augmented polarized (nZaP) basis sets for complete basis set extrapolations. I. Self-consistent field energies
S Zhong, EC Barnes, GA Petersson
The Journal of chemical physics 129 (18), 2008
1472008
Computational study of the kinetics of hydrogen abstraction from fluoromethanes by the hydroxyl radical
M Schwartz, P Marshall, RJ Berry, CJ Ehlers, GA Petersson
The Journal of Physical Chemistry A 102 (49), 10074-10081, 1998
1051998
Gaussian 16, Revision C. 01. Gaussian, Inc., Wallingford CT. 2016
MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ...
There is no corresponding record for this reference, 2016
922016
Complete basis set correlation energies. III. The total correlation energy of the neon atom
GA Petersson, AK Yee, A Bennett
The Journal of chemical physics 83 (10), 5105-5128, 1985
901985
On the optimization of Gaussian basis sets
GA Petersson, S Zhong, JA Montgomery, MJ Frisch
The Journal of chemical physics 118 (3), 1101-1109, 2003
862003
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