| Gaussian 98, revision A. 7; Gaussian, Inc MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ... Pittsburgh, Pa 40, 1998 | 7107 | 1998 |
| Gaussian 03/Gaussian MJ Frisch Inc, 2004 | 3787 | 2004 |
| Gaussian 03, Revision C. 02. Wallingford, CT: Gaussian MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ... Inc.[Google Scholar], 2004 | 2635 | 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 | 2234 | 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 | 1099 | 1992 |
| 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 | 690 | 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 | 682 | 1992 |
| NWChem: Past, present, and future E Apra, EJ Bylaska, WA De Jong, N Govind, K Kowalski, TP Straatsma, ... The Journal of chemical physics 152 (18), 2020 | 675 | 2020 |
| A standard grid for density functional calculations PMW Gill, BG Johnson, JA Pople Chemical Physics Letters 209 (5-6), 506-512, 1993 | 583 | 1993 |
| The continuous fast multipole method CA White, BG Johnson, PMW Gill, M Head-Gordon Chemical physics letters 230 (1-2), 8-16, 1994 | 501 | 1994 |
| Gaussian 2003 MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ... Pittsburgh, CT: Gaussian Inc, 2003 | 477* | 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 | 422 | 1994 |
| Gaussian 98. Revision A. 9 MJ Frish, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ... Gaussian, Inc, 1998 | 381 | 1998 |
| Linear scaling density functional calculations via the continuous fast multipole method CA White, BG Johnson, PMW Gill, M Head-Gordon Chemical Physics Letters 253 (3-4), 268-278, 1996 | 350 | 1996 |
| Gaussian 92/DFT, Revision G. 2, Gaussian MJ Frisch, GW Trucks, HB Schlegel, PMW Gill, BG Johnson, MW Wong, ... Inc., Pittsburgh, PA, 1993 | 338 | 1993 |
| Gaussian 98, Revision A. 7. Pittsburgh, PA: Gaussian MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ... Inc. Computer Program, 1998 | 311 | 1998 |
| An implementation of analytic second derivatives of the gradient‐corrected density functional energy BG Johnson, MJ Fisch The Journal of chemical physics 100 (10), 7429-7442, 1994 | 307 | 1994 |
| An investigation of the performance of a hybrid of Hartree‐Fock and density functional theory PMW Gill, BG Johnson, JA Pople, MJ Frisch International Journal of Quantum Chemistry 44 (S26), 319-331, 1992 | 303 | 1992 |
| Gaussian 03. Pittsburgh PA: Gaussian MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ... Inc.[Google Scholar], 2003 | 292 | 2003 |
| Gaussian 03 MJ Frish, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ... Revision B 3, 2003 | 292 | 2003 |
Jan FlorianLoyola University Chicagoایمیل تأیید شده در luc.edu