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H. Bernhard Schlegel
H. Bernhard Schlegel
chemistry
Verified email at chem.wayne.edu
Title
Cited by
Cited by
Year
Gaussian
MJ Frisch
Inc., Wallingford, CT, 2009
87743*2009
Gaussian
MJ Frisch
Inc., Wallingford, CT, 2009
86426*2009
Gaussian
MJ Frisch
Inc., Wallingford, CT, 2009
69583*2009
Gaussian
MJ Frisch
Inc., Wallingford, CT, 2009
59740*2009
Reaction path following in mass-weighted internal coordinates
C Gonzalez, HB Schlegel
Journal of Physical Chemistry 94 (14), 5523-5527, 1990
65061990
An improved algorithm for reaction path following
C Gonzalez, HB Schlegel
The Journal of Chemical Physics 90 (4), 2154-2161, 1989
64651989
Gaussian 09 Rev
MJ Frisch
A, 2009
4763*2009
Optimization of equilibrium geometries and transition structures
HB Schlegel
Journal of computational chemistry 3 (2), 214-218, 1982
45991982
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
34631996
Gaussian 16 Revision C. 01, 2016
MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ...
Gaussian Inc. Wallingford CT 1, 572, 2016
2998*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
24301993
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
16781979
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
1676*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
13111978
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
10002005
Accurate reaction paths using a Hessian based predictor–corrector integrator
HP Hratchian, HB Schlegel
The Journal of chemical physics 120 (21), 9918-9924, 2004
9782004
Improved algorithms for reaction path following: higher‐order implicit algorithms
C Gonzalez, HB Schlegel
The Journal of chemical physics 95 (8), 5853-5860, 1991
8521991
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
7781986
Gaussian
GW Trucks, HB Schlegel, GE Scuseria, MA Robb, JR Cheeseman, ...
Inc., Wallingford CT, 2009
7762009
Gaussian 98, Rev. A. 7, Gaussian
MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ...
Inc., Pittsburgh, PA, 1998
771*1998
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