| Gaussian 94, Version B1 and D4; Gaussian MJ Frisch, GW Trucks, HB Schlegel, PMW Gill, BG Johnson, MA Robb, ... Inc.: Pittsburgh, PA, 1995 | 19661* | 1995 |
| Gaussian 03/Gaussian MJ Frisch Inc, 2004 | 3659 | 2004 |
| 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 | 3231 | 2015 |
| 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 | 2992 | 2006 |
| Gaussian 03, Revision C. 02. Wallingford, CT: Gaussian MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ... Inc.[Google Scholar], 2004 | 2751 | 2004 |
| The performance of a family of density functional methods BG Johnson, PMW Gill, JA Pople The Journal of chemical physics 98 (7), 5612-5626, 1993 | 2237 | 1993 |
| The performance of the Becke—Lee—Yang—Parr (B—LYP) density functional theory with various basis sets PMW Gill, BG Johnson, JA Pople, MJ Frisch Chemical Physics Letters 197 (4-5), 499-505, 1992 | 1086 | 1992 |
| Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package E Epifanovsky, ATB Gilbert, X Feng, J Lee, Y Mao, N Mardirossian, ... The Journal of chemical physics 155 (8), 2021 | 889 | 2021 |
| Gaussian 98, Rev. A. 7, Gaussian MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ... Inc., Pittsburgh, PA, 1998 | 714 | 1998 |
| Q‐Chem 2.0: a high‐performance ab initio electronic structure program package J Kong, CA White, AI Krylov, D Sherrill, RD Adamson, TR Furlani, MS Lee, ... Journal of Computational Chemistry 21 (16), 1532-1548, 2000 | 692 | 2000 |
| Kohn—Sham density-functional theory within a finite basis set JA Pople, PMW Gill, BG Johnson Chemical physics letters 199 (6), 557-560, 1992 | 680 | 1992 |
| Gaussian 03, Revision C. 02. Gaussian KN Kudin, JC Burant, JM Millam, SS Iyengar, J Tomasi, V Barone, ... Inc, 2004 | 650 | 2004 |
| Self-consistent field calculations of excited states using the maximum overlap method (MOM) ATB Gilbert, NA Besley, PMW Gill The Journal of Physical Chemistry A 112 (50), 13164-13171, 2008 | 619 | 2008 |
| A standard grid for density functional calculations PMW Gill, BG Johnson, JA Pople Chemical Physics Letters 209 (5-6), 506-512, 1993 | 582 | 1993 |
| gaussian 92/dft MJ Frisch, GW Trucks, HB Schlegel, PMW Gill, BG Johnson, MW Wong, ... Revision F 2, 1993 | 512 | 1993 |
| The continuous fast multipole method CA White, BG Johnson, PMW Gill, M Head-Gordon Chemical physics letters 230 (1-2), 8-16, 1994 | 499 | 1994 |
| Gaussian 2003, Revision B. 05. Gaussian MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ... Inc., Pittsburgh, PA, 2003 | 421* | 2003 |
| A density functional study of the simplest hydrogen abstraction reaction. Effect of self-interaction correction BG Johnson, CA Gonzales, PMW Gill, JA Pople Chemical physics letters 221 (1-2), 100-108, 1994 | 418 | 1994 |
| Gaussian 98 MJ Frish, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ... Revision A 9, 1998 | 379 | 1998 |
| Q‐Chem: an engine for innovation AI Krylov, PMW Gill Wiley Interdisciplinary Reviews: Computational Molecular Science 3 (3), 317-326, 2013 | 377 | 2013 |
