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 | 173 | 2000 |
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 | 164 | 1995 |
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 | 128 | 1998 |
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 | 104 | 1997 |
The method of Gaussian weighted trajectories. V. On the 1GB procedure for polyatomic processes L Bonnet, J Espinosa-Garcia The Journal of chemical physics 133 (16), 2010 | 93 | 2010 |
New analytical potential energy surface for the CH4+ H hydrogen abstraction reaction: thermal rate constants and kinetic isotope effects J Espinosa-Garcıa The Journal of chemical physics 116 (24), 10664-10673, 2002 | 93 | 2002 |
Potential energy surface for a seven-atom reaction. Thermal rate constants and kinetic isotope effects for J Espinosa-Garcıa, JC Corchado The Journal of Chemical Physics 112 (13), 5731-5739, 2000 | 85 | 2000 |
New analytical potential energy surface for the F (2P)+ CH4 hydrogen abstraction reaction: kinetics and dynamics J Espinosa-Garcia, JL Bravo, C Rangel The Journal of Physical Chemistry A 111 (14), 2761-2771, 2007 | 82 | 2007 |
La medida de las actitudes usando las técnicas de Likert y de diferencial semántico JE García, TR Galán Enseñanza de las Ciencias. Revista de investigación y experiencias …, 1998 | 80 | 1998 |
The hydrogen abstraction reaction H+ CH4. I. New analytical potential energy surface based on fitting to ab initio calculations JC Corchado, JL Bravo, J Espinosa-Garcia The Journal of chemical physics 130 (18), 2009 | 79 | 2009 |
Analytical potential energy surface for the CH4+ Cl→ CH3+ ClH reaction: Application of the variational transition state theory and analysis of the kinetic isotope effects J Espinosa‐García, JC Corchado The Journal of chemical physics 105 (9), 3517-3523, 1996 | 79 | 1996 |
Product vibrational distributions in polyatomic species based on quasiclassical trajectory calculations JC Corchado, J Espinosa-Garcia Physical Chemistry Chemical Physics 11 (43), 10157-10164, 2009 | 73 | 2009 |
Recalibration of Two Earlier Potential Energy Surfaces for the CH4 + H → CH3 + H2 Reaction. Application of Variational Transition-State Theory and Analysis of … J Espinosa-Garcia, JC Corchado The Journal of Physical Chemistry 100 (41), 16561-16567, 1996 | 73 | 1996 |
Analytical potential energy surface for the CH 4+ O (3 P)→ CH 3+ OH reaction. Thermal rate constants and kinetic isotope effects J Espinosa-Garcia, JC Garcia-Bernaldez Physical Chemistry Chemical Physics 2 (10), 2345-2351, 2000 | 72 | 2000 |
Importance of Quantum Effects for C− H Bond Activation Reactions J Espinosa-García, JC Corchado, DG Truhlar Journal of the American Chemical Society 119 (41), 9891-9896, 1997 | 70 | 1997 |
Theoretical study of the CH4+F→CH3+FH reaction. II. Semiempirical surfaces JC Corchado, J Espinosa‐García The Journal of chemical physics 105 (8), 3160-3167, 1996 | 70 | 1996 |
Computational Chemistry of Polyatomic Reaction Kinetics and Dynamics: The Quest for an Accurate CH5 Potential Energy Surface TV Albu, J Espinosa-García, DG Truhlar Chemical reviews 107 (11), 5101-5132, 2007 | 67 | 2007 |
Potential energy surface, kinetics, and dynamics study of the Cl+ CH4→ HCl+ CH3 reaction C Rangel, M Navarrete, JC Corchado, J Espinosa-García The Journal of chemical physics 124 (12), 2006 | 65 | 2006 |
Theoretical study of the CH4+F→CH3+FH reaction. I. Ab initio reaction path JC Corchado, J Espinosa‐García The Journal of chemical physics 105 (8), 3152-3159, 1996 | 65 | 1996 |
Theoretical Kinetics Study of the O(3P) + CH4/CD4 Hydrogen Abstraction Reaction: The Role of Anharmonicity, Recrossing Effects, and Quantum Mechanical … E Gonzalez-Lavado, JC Corchado, YV Suleimanov, WH Green, ... The Journal of Physical Chemistry A 118 (18), 3243-3252, 2014 | 59 | 2014 |