H. Bernhard Schlegel
H. Bernhard Schlegel
chemistry
Verified email at chem.wayne.edu
Title
Cited by
Cited by
Year
Gaussian 03 Rev. E. 01
M Frisch
http://www. gaussian. com/, 2004
109399*2004
Gaussian 03 Rev. E. 01
M Frisch
http://www. gaussian. com/, 2004
105975*2004
Gaussian 03 Rev. E. 01
M Frisch
http://www. gaussian. com/, 2004
103926*2004
Exploring chemistry
J Foresman, E Frish
Gaussian Inc., Pittsburg, USA, 1996
62791996
An improved algorithm for reaction path following
C Gonzalez, HB Schlegel
The Journal of Chemical Physics 90 (4), 2154-2161, 1989
55311989
Reaction path following in mass-weighted internal coordinates
C Gonzalez, HB Schlegel
Journal of Physical Chemistry 94 (14), 5523-5527, 1990
54701990
Optimization of equilibrium geometries and transition structures
HB Schlegel
Journal of Computational Chemistry 3 (2), 214-218, 1982
41141982
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
30481996
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
20421993
Gaussian 98, revision A. 7; Gaussian
W Chen, MW Wong, JL Andres, M Head-Gordon, ES Replogle, JA Pople
Inc.: Pittsburgh, PA, 1998
20031998
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
14701979
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
12191978
Molecular orbital studies of vibrational frequencies
JA Pople, HB Schlegel, R Krishnan, DJ Defrees, JS Binkley, MJ Frisch, ...
International Journal of Quantum Chemistry 20 (S15), 269-278, 1981
12141981
Gaussian, Inc., Wallingford CT
MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ...
Gaussian 09, 2009
809*2009
& Nakatsuji, H.(2009)
MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ...
Gaussian, 2009
7922009
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
7431986
Improved algorithms for reaction path following: higher‐order implicit algorithms
C Gonzalez, HB Schlegel
The Journal of chemical physics 95 (8), 5853-5860, 1991
7051991
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
7032005
Accurate reaction paths using a Hessian based predictor–corrector integrator
HP Hratchian, HB Schlegel
The Journal of chemical physics 120 (21), 9918-9924, 2004
7002004
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
6671994
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