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H. Bernhard Schlegel
H. Bernhard Schlegel
chemistry
Подтвержден адрес электронной почты в домене chem.wayne.edu
Название
Процитировано
Процитировано
Год
Gaussian
MJ Frisch
Inc., Wallingford, CT, 2009
88494*2009
Gaussian
MJ Frisch
Inc., Wallingford, CT, 2009
87275*2009
Gaussian
MJ Frisch
Inc., Wallingford, CT, 2009
70521*2009
Gaussian
MJ Frisch
Inc., Wallingford, CT, 2009
59877*2009
Reaction path following in mass-weighted internal coordinates
C Gonzalez, HB Schlegel
Journal of Physical Chemistry 94 (14), 5523-5527, 1990
65301990
An improved algorithm for reaction path following
C Gonzalez, HB Schlegel
The Journal of Chemical Physics 90 (4), 2154-2161, 1989
64971989
Gaussian 09 Rev
MJ Frisch
A, 2009
4868*2009
Optimization of equilibrium geometries and transition structures
HB Schlegel
Journal of computational chemistry 3 (2), 214-218, 1982
46211982
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
34751996
Gaussian 16 Revision C. 01, 2016
MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ...
Gaussian Inc. Wallingford CT 1, 572, 2016
3302*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
24401993
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
1777*2015
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
16921979
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
13141978
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
10142005
Accurate reaction paths using a Hessian based predictor–corrector integrator
HP Hratchian, HB Schlegel
The Journal of chemical physics 120 (21), 9918-9924, 2004
9902004
Improved algorithms for reaction path following: higher‐order implicit algorithms
C Gonzalez, HB Schlegel
The Journal of chemical physics 95 (8), 5853-5860, 1991
8581991
Gaussian
GW Trucks, HB Schlegel, GE Scuseria, MA Robb, JR Cheeseman, ...
Inc., Wallingford CT, 2009
7812009
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
7791986
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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