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H. Bernhard Schlegel
H. Bernhard Schlegel
chemistry
Zweryfikowany adres z chem.wayne.edu
Tytuł
Cytowane przez
Cytowane przez
Rok
Gaussian 03, revision c. 02, Gaussian
M Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ...
Inc., Wallingford, CT 4, 2004
89856*2004
Gaussian 16
MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ...
Gaussian, Inc., 2016
54169*2016
Gaussian 16
MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ...
Gaussian, Inc., 2016
52630*2016
Gaussian 98, revision a. 7, Gaussian
MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ...
Inc., Pittsburgh, PA 12, 1998
18694*1998
Gaussian Inc
MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ...
Wallingford Ct 2009, 2009
9054*2009
Reaction path following in mass-weighted internal coordinates
C Gonzalez, HB Schlegel
Journal of Physical Chemistry 94 (14), 5523-5527, 1990
63761990
An improved algorithm for reaction path following
C Gonzalez, HB Schlegel
The Journal of Chemical Physics 90 (4), 2154-2161, 1989
63221989
Optimization of equilibrium geometries and transition structures
HB Schlegel
Journal of computational chemistry 3 (2), 214-218, 1982
45061982
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
34031996
Gaussian 09, rev
MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ...
Gaussian Inc, Wallingford, 2009
27972009
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
23941993
Gaussian 16 Revision C. 01, 2016
MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ...
Gaussian Inc. Wallingford CT 1, 572, 2016
2071*2016
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
16661979
Gaussian 03, revision c. 02; gaussian, inc.: Wallingford, ct, 2004
MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ...
Google Scholar There is no corresponding record for this reference, 2013
1440*2013
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
12611978
Fox
MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ...
DJ Gaussian 9, 2009
9692009
Accurate reaction paths using a Hessian based predictor–corrector integrator
HP Hratchian, HB Schlegel
The Journal of chemical physics 120 (21), 9918-9924, 2004
9422004
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
9382005
Improved algorithms for reaction path following: higher‐order implicit algorithms
C Gonzalez, HB Schlegel
The Journal of chemical physics 95 (8), 5853-5860, 1991
8411991
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
7671986
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