עקוב אחר
Thom Dunning
Thom Dunning
Pacific Northwest National Laboratory & University of Washington
כתובת אימייל מאומתת בדומיין uw.edu
כותרת
צוטט על ידי
צוטט על ידי
שנה
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
329091989
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
155221992
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
106481993
Gaussian Basis Sets for Molecular Calculations
TH Dunning, Jr., PJ Hay
Modern Theoretical Chemistry 3, 1-27, 1977
7052*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
59751970
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
59751970
Gaussian Basis Sets for Molecular Calculations
TH Dunning, Jr., PJ Hay
Methods of Electronic Structure Theory 3, 1-27, 1977
5716*1977
Gaussian Basis Sets for Molecular Calculations
TH Dunning, Jr., PJ Hay
Methods of Electronic Structure Theory 3, 1-27, 1977
32701977
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
31571995
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
29451994
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
27081971
Gaussian Basis Functions for Use in Molecular Calculations. III. Contraction of Atomic Basis Sets for the First‐Row Atoms
TH Dunning Jr
The Journal of Chemical Physics 55 (2), 716-723, 1971
26531971
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
19921994
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
18922002
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
17262001
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
15501999
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
1250*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
12041996
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
9651993
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
9432011
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מאמרים 1–20