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
174 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
166 1995 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
129 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
105 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
94 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
83 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
81 1998 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
80 1996 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 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
66 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(3 P) + 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
60 2014 