| POLYRATE, version 9.7 JC Corchado, YY Chuang, PL Fast, WP Hu, YP Liu, GC Lynch, ... University of Minnesota, Minneapolis, 2007 | 306 | 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 | 290 | 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 | 247 | 1999 |
| 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 | 222 | 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 | 216 | 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 | 191 | 2000 |
| Gaussrate, version 2009-A J Zheng, S Zhang, JC Corchado, YY Chuang, EL Coitino, BA Ellingson, ... University of Minnesota: Minneapolis, MN, 2010 | 178 | 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 | 176 | 2000 |
| 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 | 166 | 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 | 165 | 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 | 153 | 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 | 146 | 2004 |
| Polyrate-version 2017-C J Zheng, JL Bao, R Meana-Pañeda, S Zhang, BJ Lynch, JC Corchado, ... University of Minnesota, Minneapolis, MN, 2017 | 133 | 2017 |
| 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(3P) JC Corchado, J Espinosa-García, O Roberto-Neto, YY Chuang, ... The Journal of Physical Chemistry A 102 (25), 4899-4910, 1998 | 129 | 1998 |
| Polyrate J Zheng, S Zhang, BJ Lynch, JC Corchado, YY Chuang, PL Fast, WP Hu, ... University of Minnesota, Minneapolis, 2010 | 120 | 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 | 118 | 2001 |
| 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 | 103 | 1997 |
Joaquin Espinosa-GarciaUniversidad de Extremadura確認したメール アドレス: unex.es
