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 | 2338 | 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 | 1775 | 2001 |
Gaussian basis sets for use in correlated molecular calculations. IX. The atoms gallium through krypton AK Wilson, DE Woon, KA Peterson, TH Dunning The Journal of chemical physics 110 (16), 7667-7676, 1999 | 1600 | 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 | 1228 | 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 | 708 | 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 | 508 | 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 | 480 | 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 | 392 | 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 | 353 | 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 | 347 | 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 | 314 | 2012 |
Mol AK Wilson, T Van Mourik, THJ Dunning Jr Struct: THEOCHEM 388, 339, 1997 | 313 | 1997 |
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 | 246 | 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 | 204 | 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 | 187 | 2007 |
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 | 177 | 2007 |
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 | 172 | 2006 |
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 | 165 | 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 | 155 | 1997 |
Electron transfer studies of high potential zinc porphyrin–fullerene supramolecular dyads SK Das, B Song, A Mahler, VN Nesterov, AK Wilson, O Ito, F D’Souza The Journal of Physical Chemistry C 118 (8), 3994-4006, 2014 | 128 | 2014 |