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Joaquin Espinosa-Garcia
Joaquin Espinosa-Garcia
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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
1732000
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
1641995
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
1291998
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
1021997
New analytical potential energy surface for the hydrogen abstraction reaction: Thermal rate constants and kinetic isotope effects
J Espinosa-Garcıa
The Journal of chemical physics 116 (24), 10664-10673, 2002
932002
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), 164108, 2010
812010
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
812000
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
791996
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
762007
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
751998
The hydrogen abstraction reaction . 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), 184314, 2009
732009
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
731996
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
722000
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
701997
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
682009
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
661996
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
642007
Potential energy surface, kinetics, and dynamics study of the reaction
C Rangel, M Navarrete, JC Corchado, J Espinosa-García
The Journal of chemical physics 124 (12), 124306, 2006
642006
Theoretical study of the CH4+F→CH3+FH reaction. I. Ab initio reaction path
JC Corchado, J Espinosa‐Garcia
The Journal of chemical physics 105 (8), 3152-3159, 1996
641996
Understanding the activation energy trends for the reaction by using canonical variational transition state theory
J Villa, A González-Lafont, JM Lluch, JC Corchado, J Espinosa-Garcıa
The Journal of chemical physics 107 (18), 7266-7274, 1997
551997
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