A complete basis set model chemistry. II. Open‐shell systems and the total energies of the first‐row atoms GA Petersson, MA Al‐Laham The Journal of chemical physics 94 (9), 6081-6090, 1991 | 3352 | 1991 |
A complete basis set model chemistry. I. The total energies of closed‐shell atoms and hydrides of the first‐row elements GA Petersson, A Bennett, TG Tensfeldt, MA Al‐Laham, WA Shirley, ... The Journal of chemical physics 89 (4), 2193-2218, 1988 | 3245 | 1988 |
A complete basis set model chemistry. VI. Use of density functional geometries and frequencies JA Montgomery Jr, MJ Frisch, JW Ochterski, GA Petersson The Journal of chemical physics 110 (6), 2822-2827, 1999 | 2985 | 1999 |
A complete basis set model chemistry. VII. Use of the minimum population localization method JA Montgomery, MJ Frisch, JW Ochterski, GA Petersson The Journal of Chemical Physics 112 (15), 6532-6542, 2000 | 2143 | 2000 |
A complete basis set model chemistry. V. Extensions to six or more heavy atoms JW Ochterski, GA Petersson, JA Montgomery Jr The Journal of chemical physics 104 (7), 2598-2619, 1996 | 1861 | 1996 |
A complete basis set model chemistry. IV. An improved atomic pair natural orbital method JA Montgomery Jr, JW Ochterski, GA Petersson The Journal of chemical physics 101 (7), 5900-5909, 1994 | 907 | 1994 |
A complete basis set model chemistry. III. The complete basis set‐quadratic configuration interaction family of methods GA Petersson, TG Tensfeldt, JA Montgomery Jr The Journal of chemical physics 94 (9), 6091-6101, 1991 | 749 | 1991 |
A density functional with spherical atom dispersion terms A Austin, GA Petersson, MJ Frisch, FJ Dobek, G Scalmani, K Throssell Journal of chemical theory and computation 8 (12), 4989-5007, 2012 | 580 | 2012 |
Complete basis set correlation energies. I. The asymptotic convergence of pair natural orbital expansions MR Nyden, GA Petersson The Journal of Chemical Physics 75 (4), 1843-1862, 1981 | 513 | 1981 |
Calibration and comparison of the Gaussian-2, complete basis set, and density functional methods for computational thermochemistry GA Petersson, DK Malick, WG Wilson, JW Ochterski, JA Montgomery Jr, ... The Journal of chemical physics 109 (24), 10570-10579, 1998 | 417 | 1998 |
A comparison of model chemistries JW Ochterski, GA Petersson, KB Wiberg Journal of the American Chemical Society 117 (45), 11299-11308, 1995 | 349 | 1995 |
Unrestricted coupled cluster and Brueckner doubles variations of W1 theory EC Barnes, GA Petersson, JA Montgomery Jr, MJ Frisch, JML Martin Journal of chemical theory and computation 5 (10), 2687-2693, 2009 | 280 | 2009 |
A restricted-open-shell complete-basis-set model chemistry GPF Wood, L Radom, GA Petersson, EC Barnes, MJ Frisch, ... The Journal of chemical physics 125 (9), 2006 | 260 | 2006 |
Transition states for chemical reactions I. Geometry and classical barrier height DK Malick, GA Petersson, JA Montgomery The Journal of chemical physics 108 (14), 5704-5713, 1998 | 212 | 1998 |
Uniformly convergent n-tuple-ζ augmented polarized (nZaP) basis sets for complete basis set extrapolations. I. Self-consistent field energies S Zhong, EC Barnes, GA Petersson The Journal of chemical physics 129 (18), 2008 | 156 | 2008 |
General methods of synthetic analysis. Strategic bond disconnections for bridged polycyclic structures EJ Corey, WJ Howe, HW Orf, DA Pensak, G Petersson Journal of the American Chemical Society 97 (21), 6116-6124, 1975 | 153 | 1975 |
Computational study of the kinetics of hydrogen abstraction from fluoromethanes by the hydroxyl radical M Schwartz, P Marshall, RJ Berry, CJ Ehlers, GA Petersson The Journal of Physical Chemistry A 102 (49), 10074-10081, 1998 | 106 | 1998 |
Gaussian 16, Revision C. 01. Gaussian, Inc., Wallingford CT. 2016 MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ... There is no corresponding record for this reference, 2016 | 99 | 2016 |
Complete basis set correlation energies. III. The total correlation energy of the neon atom GA Petersson, AK Yee, A Bennett The Journal of chemical physics 83 (10), 5105-5128, 1985 | 92 | 1985 |
On the optimization of Gaussian basis sets GA Petersson, S Zhong, JA Montgomery, MJ Frisch The Journal of chemical physics 118 (3), 1101-1109, 2003 | 87 | 2003 |