Gaussian 03, revision c. 02, Gaussian M Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ... Inc., Wallingford, CT 4, 2004 | 89538* | 2004 |
Gaussian 16 MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ... Gaussian, Inc., 2016 | 53758* | 2016 |
Gaussian 16 MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ... Gaussian, Inc., 2016 | 52271* | 2016 |
Gaussian Inc MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ... Wallingford Ct 2009, 2009 | 9017* | 2009 |
Reaction path following in mass-weighted internal coordinates C Gonzalez, HB Schlegel Journal of Physical Chemistry 94 (14), 5523-5527, 1990 | 6355 | 1990 |
An improved algorithm for reaction path following C Gonzalez, HB Schlegel The Journal of Chemical Physics 90 (4), 2154-2161, 1989 | 6309 | 1989 |
Optimization of equilibrium geometries and transition structures HB Schlegel Journal of computational chemistry 3 (2), 214-218, 1982 | 4488 | 1982 |
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 | 3399 | 1996 |
Gaussian 94, Revision B. 3, Gaussian MJ Frisch, GW Trucks, HB Schlegel, PMW Gill, BG Johnson, MA Robb, ... Inc., Pittsburgh, PA 15106, 1995 | 3300 | 1995 |
Gaussian 09, rev MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ... Gaussian Inc, Wallingford, 2009 | 2747 | 2009 |
Combining synchronous transit and quasi‐newton methods to find transition states C Peng, H Bernhard Schlegel Israel Journal of Chemistry 33 (4), 449-454, 1993 | 2386 | 1993 |
Gaussian 16 Revision C. 01, 2016 MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ... Gaussian Inc. Wallingford CT 1, 572, 2016 | 1834* | 2016 |
Derivative studies in hartree‐fock and møller‐plesset theories JA Pople, R Krishnan, HB Schlegel, JS Binkley International Journal of Quantum Chemistry 16 (S13), 225-241, 1979 | 1664 | 1979 |
Gaussian 16 Revision C. 01, 2016 MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ... Gaussian Inc. Wallingford CT 1, 572, 2016 | 1525 | 2016 |
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Electron correlation theories and their application to the study of simple reaction potential surfaces JA Pople, R Krishnan, HB Schlegel, JS Binkley International Journal of Quantum Chemistry 14 (5), 545-560, 1978 | 1257 | 1978 |
Fox MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ... DJ Gaussian 9, 2009 | 968 | 2009 |
Accurate reaction paths using a Hessian based predictor–corrector integrator HP Hratchian, HB Schlegel The Journal of chemical physics 120 (21), 9918-9924, 2004 | 935 | 2004 |
Using Hessian updating to increase the efficiency of a Hessian based predictor-corrector reaction path following method HP Hratchian, HB Schlegel Journal of chemical theory and computation 1 (1), 61-69, 2005 | 932 | 2005 |
Improved algorithms for reaction path following: higher‐order implicit algorithms C Gonzalez, HB Schlegel The Journal of chemical physics 95 (8), 5853-5860, 1991 | 838 | 1991 |