Obserwuj
H. Bernhard Schlegel
H. Bernhard Schlegel
chemistry
Zweryfikowany adres z chem.wayne.edu
Tytuł
Cytowane przez
Cytowane przez
Rok
Gaussian
M Frisch
http://www. gaussian. com/, 2009
85412*2009
Gaussian
M Frisch
http://www. gaussian. com/, 2009
84090*2009
Gaussian
M Frisch
http://www. gaussian. com/, 2009
66878*2009
Gaussian
M Frisch
http://www. gaussian. com/, 2009
59299*2009
Reaction path following in mass-weighted internal coordinates
C Gonzalez, HB Schlegel
Journal of Physical Chemistry 94 (14), 5523-5527, 1990
64151990
An improved algorithm for reaction path following
C Gonzalez, HB Schlegel
The Journal of Chemical Physics 90 (4), 2154-2161, 1989
63751989
Optimization of equilibrium geometries and transition structures
HB Schlegel
Journal of computational chemistry 3 (2), 214-218, 1982
45171982
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
34221996
Gaussian 09, rev
MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ...
Gaussian Inc, Wallingford, 2009
26802009
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
23901993
Gaussian 09. 2009, Gaussian
MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ...
Inc.: Wallingford, Ct, USA 542, 1990
2359*1990
Gaussian 09, rev. D. 01
MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ...
Gaussian Inc.: Wallingford, CT, USA, 2009
22072009
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
16681979
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
1333*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
13001978
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
9672005
Accurate reaction paths using a Hessian based predictor–corrector integrator
HP Hratchian, HB Schlegel
The Journal of chemical physics 120 (21), 9918-9924, 2004
9582004
Improved algorithms for reaction path following: higher‐order implicit algorithms
C Gonzalez, HB Schlegel
The Journal of chemical physics 95 (8), 5853-5860, 1991
8441991
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
7721986
Gaussian
GW Trucks, HB Schlegel, GE Scuseria, MA Robb, JR Cheeseman, ...
Inc., Wallingford CT, 2009
7642009
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