Sledovať
Jose C. Corchado
Jose C. Corchado
Universidad de Extremadura, University of Minnesota
Overená e-mailová adresa na: unex.es
Názov
Citované v
Citované v
Rok
POLYRATE, version 9.7
JC Corchado, YY Chuang, PL Fast, WP Hu, YP Liu, GC Lynch, ...
University of Minnesota, Minneapolis, 2007
3462007
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
3021999
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
2722002
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
2451999
Combined quantum mechanical and molecular mechanical methods
J Gao, MA Thompson
American Chemical Society 712, 324, 1998
2311998
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
2232001
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
2152000
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
1942000
Gaussrate, version 2009-A
J Zheng, S Zhang, JC Corchado, YY Chuang, EL Coitino, BA Ellingson, ...
University of Minnesota: Minneapolis, MN, 2010
1792010
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
1772000
Polyrate-version 2017-C
J Zheng, JL Bao, R Meana-Pañeda, S Zhang, BJ Lynch, JC Corchado, ...
University of Minnesota, Minneapolis, MN, 2017
1762017
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
1721999
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
1671998
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
1661995
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
1561999
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
1482004
Polyrate-version 8.2
YY Chuang, JC Corchado, PL Fast, J Villa, EL Coitino, WP Hu, YP Liu, ...
University of Minnesota, Minneapolis, 1999
1311999
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
1281998
Polyrate
J Zheng, S Zhang, BJ Lynch, JC Corchado, YY Chuang, PL Fast, WP Hu, ...
University of Minnesota, Minneapolis, 2010
1222010
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
1202001
Systém momentálne nemôže vykonať operáciu. Skúste to neskôr.
Články 1–20