Gaussian MJ Frisch Inc., Wallingford, CT, 2009 | 87099* | 2009 |
Gaussian MJ Frisch Inc., Wallingford, CT, 2009 | 85923* | 2009 |
Gaussian MJ Frisch Inc., Wallingford, CT, 2009 | 68801* | 2009 |
Gaussian MJ Frisch Inc., Wallingford, CT, 2009 | 59617* | 2009 |
Reaction path following in mass-weighted internal coordinates C Gonzalez, HB Schlegel Journal of Physical Chemistry 94 (14), 5523-5527, 1990 | 6453 | 1990 |
An improved algorithm for reaction path following C Gonzalez, HB Schlegel The Journal of Chemical Physics 90 (4), 2154-2161, 1989 | 6414 | 1989 |
Optimization of equilibrium geometries and transition structures HB Schlegel Journal of computational chemistry 3 (2), 214-218, 1982 | 4571 | 1982 |
Gaussian 09 Rev MJ Frisch A, 2009 | 4569* | 2009 |
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 | 3438 | 1996 |
Gaussian 16 Revision C. 01, 2016 MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ... Gaussian Inc. Wallingford CT 1, 572, 2016 | 2888* | 2016 |
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 | 2418 | 1993 |
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 | 1676 | 1979 |
Gaussian09 Revision D. 01, Gaussian Inc., Wallingford CT, 2009 MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ... There is no corresponding record for this reference, 2015 | 1653* | 2015 |
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 | 1307 | 1978 |
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 | 992 | 2005 |
Accurate reaction paths using a Hessian based predictor–corrector integrator HP Hratchian, HB Schlegel The Journal of chemical physics 120 (21), 9918-9924, 2004 | 971 | 2004 |
Improved algorithms for reaction path following: higher‐order implicit algorithms C Gonzalez, HB Schlegel The Journal of chemical physics 95 (8), 5853-5860, 1991 | 852 | 1991 |
Potential energy curves using unrestricted Mo/ller–Plesset perturbation theory with spin annihilation HB Schlegel The Journal of chemical physics 84 (8), 4530-4534, 1986 | 775 | 1986 |
Gaussian GW Trucks, HB Schlegel, GE Scuseria, MA Robb, JR Cheeseman, ... Inc., Wallingford CT, 2009 | 768 | 2009 |
A direct method for the location of the lowest energy point on a potential surface crossing MJ Bearpark, MA Robb, HB Schlegel Chemical physics letters 223 (3), 269-274, 1994 | 761 | 1994 |