gaussian 09, Revision d. 01, Gaussian M Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ... Inc., Wallingford CT 201, 2009 | 135844* | 2009 |
gaussian M Frisch http://www. gaussian. com/, 2009 | 42660* | 2009 |
Gaussian 98, revision A. 7; Gaussian, Inc MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ... Pittsburgh, Pa 40, 1998 | 8174 | 1998 |
A fifth-order perturbation comparison of electron correlation theories K Raghavachari, GW Trucks, JA Pople, M Head-Gordon Chemical Physics Letters 157 (6), 479-483, 1989 | 7441 | 1989 |
Long-range corrected hybrid density functionals with damped atom–atom dispersion corrections JD Chai, M Head-Gordon Physical Chemistry Chemical Physics 10 (44), 6615-6620, 2008 | 7101 | 2008 |
Quadratic configuration interaction. A general technique for determining electron correlation energies JA Pople, M Head‐Gordon, K Raghavachari The Journal of chemical physics 87 (10), 5968-5975, 1987 | 4648 | 1987 |
MP2 energy evaluation by direct methods M Head-Gordon, JA Pople, MJ Frisch Chemical physics letters 153 (6), 503-506, 1988 | 2845 | 1988 |
Gaussian 94, revision B. 3 MJ Frisch, GW Trucks, HB Schlegel, PMW Gill, BG Johnson, MA Robb, ... Gaussian Inc., Pittsburgh, PA 9 (10), 1995 | 2600 | 1995 |
Advances in methods and algorithms in a modern quantum chemistry program package Y Shao, LF Molnar, Y Jung, J Kussmann, C Ochsenfeld, ST Brown, ... Physical Chemistry Chemical Physics 8 (27), 3172-3191, 2006 | 2591 | 2006 |
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 | 2542 | 1992 |
Systematic optimization of long-range corrected hybrid density functionals JD Chai, M Head-Gordon The Journal of chemical physics 128 (8), 084106, 2008 | 2350 | 2008 |
Single-reference ab initio methods for the calculation of excited states of large molecules A Dreuw, M Head-Gordon Chemical reviews 105 (11), 4009-4037, 2005 | 2325 | 2005 |
Gaussian 98, revision A. 7; Gaussian W Chen, MW Wong, JL Andres, M Head-Gordon, ES Replogle, JA Pople Inc.: Pittsburgh, PA, 1998 | 2005 | 1998 |
Advances in molecular quantum chemistry contained in the Q-Chem 4 program package Y Shao, Z Gan, E Epifanovsky, ATB Gilbert, M Wormit, J Kussmann, ... Molecular Physics 113 (2), 184-215, 2015 | 1848 | 2015 |
Gaussian‐1 theory: A general procedure for prediction of molecular energies JA Pople, M Head‐Gordon, DJ Fox, K Raghavachari, LA Curtiss The Journal of Chemical Physics 90 (10), 5622-5629, 1989 | 1737 | 1989 |
A direct MP2 gradient method MJ Frisch, M Head-Gordon, JA Pople Chemical Physics Letters 166 (3), 275-280, 1990 | 1726 | 1990 |
Failure of time-dependent density functional theory for long-range charge-transfer excited states: the zincbacteriochlorin− bacteriochlorin and bacteriochlorophyll− spheroidene … A Dreuw, M Head-Gordon Journal of the American Chemical Society 126 (12), 4007-4016, 2004 | 1569 | 2004 |
Long-range charge-transfer excited states in time-dependent density functional theory require non-local exchange A Dreuw, JL Weisman, M Head-Gordon The Journal of chemical physics 119 (6), 2943-2946, 2003 | 1518 | 2003 |
Time-dependent density functional theory within the Tamm–Dancoff approximation S Hirata, M Head-Gordon Chemical Physics Letters 314 (3-4), 291-299, 1999 | 1436 | 1999 |
Molecular orbital theory of the electronic structure of organic compounds. I. Substituent effects and dipole moments JA Pople, M Gordon Journal of the American Chemical Society 89 (17), 4253-4261, 1967 | 1391 | 1967 |