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Angela K. Wilson
Angela K. Wilson
John A. Hannah Distinguished Professor of Chemistry, Michigan State University
Verifierad e-postadress på msu.edu
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Basis-set convergence in correlated calculations on Ne, N2, and H2O
A Halkier, T Helgaker, P Jørgensen, W Klopper, H Koch, J Olsen, ...
Chemical Physics Letters 286 (3-4), 243-252, 1998
22851998
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
17132001
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
15441999
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
J. Mol. Struct 388, 339, 1996
11971996
Gaussian basis sets for use in correlated molecular calculations. VII. Valence, core-valence, and scalar relativistic basis sets for Li, Be, Na, and Mg
BP Prascher, DE Woon, KA Peterson, TH Dunning, AK Wilson
Theoretical Chemistry Accounts 128, 69-82, 2011
6472011
Harmonic vibrational frequencies: scaling factors for HF, B3LYP, and MP2 methods in combination with correlation consistent basis sets
P Sinha, SE Boesch, C Gu, RA Wheeler, AK Wilson
The Journal of Physical Chemistry A 108 (42), 9213-9217, 2004
4862004
High-accuracy extrapolated ab initio thermochemistry. III. Additional improvements and overview
ME Harding, J Vázquez, B Ruscic, AK Wilson, J Gauss, JF Stanton
The Journal of chemical physics 128 (11), 2008
4562008
Benchmark calculations with correlated molecular wavefunctions. XIII. Potential energy curves for He2, Ne2 and Ar2 using correlation consistent basis sets through augmented …
T Van Mourik, AK Wilson, TH Dunning Jr
Molecular Physics 96 (4), 529-547, 1999
3821999
The correlation consistent composite approach (ccCA): An alternative to the Gaussian-n methods
NJ DeYonker, TR Cundari, AK Wilson
The Journal of chemical physics 124 (11), 2006
3372006
CO2 Reduction on Transition Metal (Fe, Co, Ni, and Cu) Surfaces: In Comparison with Homogeneous Catalysis
C Liu, TR Cundari, AK Wilson
The Journal of Physical Chemistry C 116 (9), 5681-5688, 2012
3212012
Multireference character for 3d transition-metal-containing molecules
W Jiang, NJ DeYonker, AK Wilson
Journal of chemical theory and computation 8 (2), 460-468, 2012
2862012
Vibrational frequency scale factors for density functional theory and the polarization consistent basis sets
ML Laury, MJ Carlson, AK Wilson
Journal of computational chemistry 33 (30), 2380-2387, 2012
2292012
Benchmark calculations with correlated molecular wave functions. X. Comparison with “exact” MP2 calculations on Ne, HF, and
AK Wilson, TH Dunning, Jr
The Journal of chemical physics 106 (21), 8718-8726, 1997
2021997
Quantitative computational thermochemistry of transition metal species
NJ DeYonker, KA Peterson, G Steyl, AK Wilson, TR Cundari
The Journal of Physical Chemistry A 111 (44), 11269-11277, 2007
1802007
Mourik, TH Dunning Jr., Gaussian Basis Sets for Use in Correlated Molecular Calculations. VI. Sextuple Zeta Correlation Consistent Basis Sets for Boron through Neon
A Wilson, T Van
J. Mol. Struct 388, 339-349, 1996
1711996
The correlation-consistent composite approach: Application to the G3/99 test set
NJ DeYonker, T Grimes, S Yockel, A Dinescu, B Mintz, TR Cundari, ...
The Journal of chemical physics 125 (10), 2006
1702006
Systematically convergent correlation consistent basis sets for molecular core− valence correlation effects: the third-row atoms gallium through Krypton
NJ DeYonker, KA Peterson, AK Wilson
The Journal of Physical Chemistry A 111 (44), 11383-11393, 2007
1642007
Toward accurate theoretical thermochemistry of first row transition metal complexes
W Jiang, NJ DeYonker, JJ Determan, AK Wilson
The Journal of Physical Chemistry A 116 (2), 870-885, 2012
1602012
Benchmark calculations with correlated molecular wave functions XII. Core correlation effects on the homonuclear diatomic molecules B2-F2: XII. Core correlation effects on the …
KA Peterson, AK Wilson, DE Woon, TH Dunning Jr
Theoretical Chemistry Accounts 97, 251-259, 1997
1501997
Mol
AK Wilson, T Van Mourik, THJ Dunning Jr
Struct: THEOCHEM 388, 339, 1997
1411997
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Artiklar 1–20