Jose C. Corchado
Jose C. Corchado
Universidad de Extremadura, University of Minnesota
Verified email at unex.es
TitleCited byYear
POLYRATE, version 9.7
JC Corchado, YY Chuang, PL Fast, WP Hu, YP Liu, GC Lynch, ...
University of Minnesota, Minneapolis, 2007
2752007
The incorporation of quantum effects in enzyme kinetics modeling
DG Truhlar, J Gao, C Alhambra, M Garcia-Viloca, J Corchado, ...
Accounts of chemical research 35 (6), 341-349, 2002
2412002
Mapped interpolation scheme for single-point energy corrections in reaction rate calculations and a critical evaluation of dual-level reaction path dynamics methods
YY Chuang, JC Corchado, DG Truhlar
The Journal of Physical Chemistry A 103 (8), 1140-1149, 1999
2331999
Optimized parameters for scaling correlation energy
PL Fast, J Corchado, ML Sanchez, DG Truhlar
The Journal of Physical Chemistry A 103 (17), 3139-3143, 1999
2221999
Quantum dynamics of hydride transfer in enzyme catalysis
C Alhambra, JC Corchado, ML Sanchez, J Gao, DG Truhlar
Journal of the American Chemical Society 122 (34), 8197-8203, 2000
1932000
Canonical variational theory for enzyme kinetics with the protein mean force and multidimensional quantum mechanical tunneling dynamics. Theory and application to liver alcohol …
C Alhambra, J Corchado, ML Sánchez, M Garcia-Viloca, J Gao, ...
The Journal of Physical Chemistry B 105 (45), 11326-11340, 2001
1902001
Multiconfiguration molecular mechanics algorithm for potential energy surfaces of chemical reactions
Y Kim, JC Corchado, J Villa, J Xing, DG Truhlar
The Journal of Chemical Physics 112 (6), 2718-2735, 2000
1742000
Potential energy surface, thermal, and state-selected rate coefficients, and kinetic isotope effects for
JC Corchado, DG Truhlar, J Espinosa-Garcıa
The Journal of Chemical Physics 112 (21), 9375-9389, 2000
1692000
POLYRATE-version 2008
J Zheng
http://comp. chem. umn. edu/polyrate/, 2008
1602008
Dual-Level Reaction-Path Dynamics (the///Approach to VTST with Semiclassical Tunneling). Application to OH+ NH3. fwdarw. H2O+ NH2
JC Corchado, J Espinosa-Garcia, WP Hu, I Rossi, DG Truhlar
The Journal of Physical Chemistry 99 (2), 687-694, 1995
1561995
Quantum mechanical dynamical effects in an enzyme-catalyzed proton transfer reaction
C Alhambra, J Gao, JC Corchado, J Villa, DG Truhlar
Journal of the American Chemical Society 121 (10), 2253-2258, 1999
1541999
Multi-coefficient correlation method for quantum chemistry
PL Fast, JC Corchado, ML Sánchez, DG Truhlar
The Journal of Physical Chemistry A 103 (26), 5129-5136, 1999
1441999
Interpolated variational transition-state theory by mapping
JC Corchado, EL Coitino, YY Chuang, PL Fast, DG Truhlar
The Journal of Physical Chemistry A 102 (14), 2424-2438, 1998
1391998
Ensemble‐averaged variational transition state theory with optimized multidimensional tunneling for enzyme kinetics and other condensed‐phase reactions
DG Truhlar, J Gao, M Garcia‐Viloca, C Alhambra, J Corchado, ...
International journal of quantum chemistry 100 (6), 1136-1152, 2004
1322004
Dual-Level Direct Dynamics Calculations of the Reaction Rates for a Jahn−Teller Reaction:  Hydrogen Abstraction from CH4 or CD4 by O(3P)
JC Corchado, J Espinosa-García, O Roberto-Neto, YY Chuang, ...
The Journal of Physical Chemistry A 102 (25), 4899-4910, 1998
1191998
Improved methods for variational transition state theory with multidimensional tunneling and their applications
YY Chuang
1121999
Gaussrate, version 2009-A
J Zheng, S Zhang, JC Corchado, YY Chuang, EL Coitino, BA Ellingson, ...
University of Minnesota: Minneapolis, MN, 2010
1112010
Molecular mechanics for chemical reactions: a standard strategy for using multiconfiguration molecular mechanics for variational transition state theory with optimized …
TV Albu, JC Corchado, DG Truhlar
The Journal of Physical Chemistry A 105 (37), 8465-8487, 2001
1072001
Analytical potential energy surface for the NH3+H↔NH2+H2 reaction: Application of variational transition-state theory and analysis of the equilibrium constants …
JC Corchado, J Espinosa-Garcıa
The Journal of chemical physics 106 (10), 4013-4021, 1997
941997
The Gaussian-2 method with proper dissociation, improved accuracy, and less cost
PL Fast, ML Sánchez, JC Corchado, DG Truhlar
The Journal of chemical physics 110 (24), 11679-11681, 1999
901999
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