POLYRATE, version 9.7 JC Corchado, YY Chuang, PL Fast, WP Hu, YP Liu, GC Lynch, ...
University of Minnesota, Minneapolis, 2007
346 2007 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
302 1999 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
272 2002 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
245 1999 Combined quantum mechanical and molecular mechanical methods J Gao, MA Thompson
American Chemical Society 712, 324, 1998
231 1998 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
223 2001 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
215 2000 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
195 2000 Gaussrate, version 2009-A J Zheng, S Zhang, JC Corchado, YY Chuang, EL Coitino, BA Ellingson, ...
University of Minnesota: Minneapolis, MN, 2010
179 2010 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
177 2000 Polyrate-version 2017-C J Zheng, JL Bao, R Meana-Pañeda, S Zhang, BJ Lynch, JC Corchado, ...
University of Minnesota, Minneapolis, MN, 2017
176 2017 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
172 1999 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
167 1998 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
166 1995 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
156 1999 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
148 2004 Polyrate-version 8.2 YY Chuang, JC Corchado, PL Fast, J Villa, EL Coitino, WP Hu, YP Liu, ...
University of Minnesota, Minneapolis, 1999
131 1999 Dual-Level Direct Dynamics Calculations of the Reaction Rates for a Jahn−Teller Reaction: Hydrogen Abstraction from CH4 or CD4 by O(3 P) JC Corchado, J Espinosa-García, O Roberto-Neto, YY Chuang, ...
The Journal of Physical Chemistry A 102 (25), 4899-4910, 1998
128 1998 Polyrate J Zheng, S Zhang, BJ Lynch, JC Corchado, YY Chuang, PL Fast, WP Hu, ...
University of Minnesota, Minneapolis, 2010
122 2010 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
120 2001 
Joaquin Espinosa-GarciaUniversidad de ExtremaduraPreverjeni e-poštni naslov na unex.es
