gaussian 09, Revision d. 01, Gaussian M Frisch Inc, Wallingford CT 201, 2009 | 202367* | 2009 |
gaussian 09, Revision d. 01, Gaussian M Frisch Inc, Wallingford CT 201, 2009 | 186530* | 2009 |
gaussian 09, Revision d. 01, Gaussian M Frisch Inc, Wallingford CT 201, 2009 | 182278* | 2009 |
gaussian 09, Revision d. 01, Gaussian M Frisch Inc, Wallingford CT 201, 2009 | 175249* | 2009 |
gaussian 09, Revision d. 01, Gaussian M Frisch Inc, Wallingford CT 201, 2009 | 172485* | 2009 |
Gaussian 03 rev. E. 01 MJ Frisch http://www. gaussian. com/, 2004 | 78511* | 2004 |
Ab initio calculation of vibrational absorption and circular dichroism spectra using density functional force fields PJ Stephens, FJ Devlin, CF Chabalowski, MJ Frisch The Journal of physical chemistry 98 (45), 11623-11627, 1994 | 23222 | 1994 |
Gaussian 98, revision a. 7, Gaussian MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ... Inc., Pittsburgh, PA 12, 1998 | 19368 | 1998 |
gaussian 09, Gaussian M Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ... Inc., Wallingford CT 121, 150-166, 2009 | 13436* | 2009 |
Self‐consistent molecular orbital methods 25. Supplementary functions for Gaussian basis sets MJ Frisch, JA Pople, JS Binkley The Journal of chemical physics 80 (7), 3265-3269, 1984 | 9261 | 1984 |
An efficient implementation of time-dependent density-functional theory for the calculation of excitation energies of large molecules RE Stratmann, GE Scuseria, MJ Frisch The Journal of chemical physics 109 (19), 8218-8224, 1998 | 5555 | 1998 |
gaussian 03, Gaussian MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ... Inc., Wallingford, CT 371, 2004 | 3648 | 2004 |
Using redundant internal coordinates to optimize equilibrium geometries and transition states C Peng, PY Ayala, HB Schlegel, MJ Frisch Journal of Computational Chemistry 17 (1), 49-56, 1996 | 3414 | 1996 |
MP2 energy evaluation by direct methods M Head-Gordon, JA Pople, MJ Frisch Chemical physics letters 153 (6), 503-506, 1988 | 3291 | 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 | 2931 | 1999 |
Toward a systematic molecular orbital theory for excited states JB Foresman, M Head-Gordon, JA Pople, MJ Frisch The Journal of Physical Chemistry 96 (1), 135-149, 1992 | 2747 | 1992 |
Continuous surface charge polarizable continuum models of solvation. I. General formalism G Scalmani, MJ Frisch The Journal of chemical physics 132 (11), 2010 | 2643 | 2010 |
A comparison of models for calculating nuclear magnetic resonance shielding tensors JR Cheeseman, GW Trucks, TA Keith, MJ Frisch The Journal of chemical physics 104 (14), 5497-5509, 1996 | 2546 | 1996 |
A new ONIOM implementation in Gaussian98. Part I. The calculation of energies, gradients, vibrational frequencies and electric field derivatives S Dapprich, I Komáromi, KS Byun, K Morokuma, MJ Frisch Journal of Molecular Structure: THEOCHEM 461, 1-21, 1999 | 2461 | 1999 |
Gaussian 09, rev. D. 01 MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ... Gaussian Inc.: Wallingford, CT, USA, 2009 | 2184 | 2009 |