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
2291 1998 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
1726 2001 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
1552 1999 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
1205 1996 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
654 2011 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
488 2004 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
460 2008 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
384 1999 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
339 2006 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
325 2012 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
287 2012 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
230 2012 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
202 1997 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
181 2007 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
171 1996 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
170 2006 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
167 2007 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
161 2012 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
150 1997 Mol AK Wilson, T Van Mourik, THJ Dunning Jr
Struct: THEOCHEM 388, 339, 1997
142 1997