Παρακολούθηση
Thom Dunning
Thom Dunning
Pacific Northwest National Laboratory & University of Washington
Η διεύθυνση ηλεκτρονικού ταχυδρομείου έχει επαληθευτεί στον τομέα uw.edu
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Gaussian basis sets for use in correlated molecular calculations. I. The atoms boron through neon and hydrogen
TH Dunning Jr
The Journal of chemical physics 90 (2), 1007-1023, 1989
329581989
Electron affinities of the first‐row atoms revisited. Systematic basis sets and wave functions
RA Kendall, H Dunning, Jr., RJ Harrison
Journal of Chemical Physics 96, 6796-6806, 1992
155441992
Gaussian basis sets for use in correlated molecular Calculations. Ill. The atoms aluminum through argon
DE Woon, J Dunning, Thom H.
J. Chem. Phys. 98 (2), 1358-1371, 1993
106611993
Gaussian Basis Sets for Molecular Calculations
TH Dunning, Jr., PJ Hay
Modern Theoretical Chemistry 3, 1-27, 1977
7058*1977
Gaussian Basis Functions for Use in Molecular Calculations. I. Contraction of (9s5p) Atomic Basis Sets for the First Row Atoms
TH Dunning, Jr.
J. Chem. Phys. 53 (7), 2823-2833, 1970
59741970
Gaussian Basis Functions for Use in Molecular Calculations. I. Contraction of (9s5p) Atomic Basis Sets for the First Row Atoms
TH Dunning, Jr.
Chem. Phys 53 (7), 2823, 1970
59741970
Gaussian Basis Sets for Molecular Calculations
TH Dunning, Jr., PJ Hay
Methods of Electronic Structure Theory 3, 1-27, 1977
5721*1977
Gaussian Basis Sets for Molecular Calculations
TH Dunning, Jr., PJ Hay
Methods of Electronic Structure Theory 3, 1-27, 1977
32741977
Gaussian basis sets for use in correlated molecular calculations. V. Core‐valence basis sets for boron through neon
DE Woon, TH Dunning Jr
The Journal of chemical physics 103 (11), 4572-4585, 1995
31631995
Gaussian basis sets for use in correlated molecular calculations. IV. Calculation of static electrical response properties
DE Woon, TH Dunning Jr
The Journal of chemical physics 100 (4), 2975-2988, 1994
29481994
Gaussian Basis Functions for Use in Molecular Calculations. III. Contraction of (10s6p) Atomic Basis Sets for the First-Row Atoms.
TH Dunning
J. Chem. Phys 55 (2), 716-723, 1971
27091971
Benchmark calculations with correlated molecular wave functions. IV. The classical barrier height of the H + H2→ H2 + H reaction
KA Peterson, DE Woon, TH Dunning Jr
The Journal of chemical physics 100 (10), 7410-7415, 1994
19941994
Accurate correlation consistent basis sets for molecular core–valence correlation effects: The second row atoms Al–Ar, and the first row atoms B–Ne revisited
KA Peterson, TH Dunning Jr
The Journal of chemical physics 117 (23), 10548-10560, 2002
18952002
Gaussian basis sets for use in correlated molecular calculations. X. The atoms aluminum through argon revisited
TH Dunning Jr, KA Peterson, AK Wilson
The Journal of Chemical Physics 114 (21), 9244-9253, 2001
17272001
Gaussian basis sets for use in correlated molecular calculations. IX. The atoms gallium through krypton
AK Wilson, DE Woon, KA Peterson, TH Dunning Jr
The Journal of chemical physics 110 (16), 7667-7676, 1999
15531999
Gaussian basis sets for use in correlated molecular calculations. VI. Sextuple zeta correlation consistent basis sets for boron through neon
AK Wilson, T Van Mourik, TH Dunning Jr
Journal of Molecular Structure (Theochem) 388, 339-349, 1996
1253*1996
Gaussian basis sets for use in correlated molecular calculations. VI. Sextuple zeta correlation consistent basis sets for boron through neon
AK Wilson, T van Mourik, TH Dunning Jr
Journal of Molecular Structure (Theochem) 388, 339-349, 1996
12071996
Ab initio studies of cyclic water clusters (H2O)n, n= 1–6. I. Optimal structures and vibrational spectra
SS Xantheas, TH Dunning Jr
The Journal of chemical physics 99 (11), 8774-8792, 1993
9661993
The international exascale software project roadmap
J Dongarra, P Beckman, T Moore, P Aerts, G Aloisio, JC Andre, D Barkai, ...
The international journal of high performance computing applications 25 (1 …, 2011
9452011
NWChem: Past, present, future
E Apra, EJ Bylaska, WA de Jong, N Govind, K Kowalski, TP Straatsma, ...
J. Chem. Phys. 152, 184102, 2020
727*2020
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