Follow
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
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
64531990
An improved algorithm for reaction path following
C Gonzalez, HB Schlegel
The Journal of Chemical Physics 90 (4), 2154-2161, 1989
64141989
Optimization of equilibrium geometries and transition structures
HB Schlegel
Journal of computational chemistry 3 (2), 214-218, 1982
45711982
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
34381996
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
24181993
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
16761979
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
13071978
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
9922005
Accurate reaction paths using a Hessian based predictor–corrector integrator
HP Hratchian, HB Schlegel
The Journal of chemical physics 120 (21), 9918-9924, 2004
9712004
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
7751986
Gaussian
GW Trucks, HB Schlegel, GE Scuseria, MA Robb, JR Cheeseman, ...
Inc., Wallingford CT, 2009
7682009
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
7611994
The system can't perform the operation now. Try again later.
Articles 1–20