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The Journal of Physical Chemistry. A|May 13, 2010
Quasi-classical trajectory calculations of the hydrogen abstraction reaction H + NH3Joaquín Espinosa-García, José C Corchado
The Journal of Physical Chemistry. A|September 1, 2006
Quasi-classical trajectory calculations analyzing the reactivity and dynamics of asymmetric stretch mode excitations of methane in the H + CH4 reactionCipriano Rangel, José C Corchado, Joaquín Espinosa-García
Physical Chemistry Chemical Physics : PCCP|November 19, 2008
Quasi-classical trajectory calculations in asymmetrically substituted polyatomic systems of the type A + CX3Y --> products: the H + CH3Cl hydrogen abstraction reaction channelCipriano Rangel, José C Corchado, Joaquín Espinosa-García
Physical Chemistry Chemical Physics : PCCP|May 17, 2022
Full-dimensional potential energy surface for the H + CH<sub>3</sub>OH reaction. Theoretical kinetics and dynamics studyCipriano Rangel, Joaquín Espinosa-García, José C Corchado
The Journal of Physical Chemistry. A|January 13, 2006
Importance of anharmonicity, recrossing effects, and quantum mechanical tunneling in transition state theory with semiclassical tunneling. A test case: the H2 + Cl hydrogen abstraction reactionJorge A Sansón, María-Luz Sánchez, José C Corchado
The Journal of Chemical Physics|September 9, 2004
New hybrid method for reactive systems from integrating molecular orbital or molecular mechanics methods with analytical potential energy surfacesJoaquín Espinosa-Garciá, Cipriano Rangel, Marta Navarrete, et al.
Journal of Chemical Theory and Computation|December 8, 2015
Theoretical Study of the Antioxidant Activity of Vitamin E:  Reactions of α-Tocopherol with the Hydroperoxy RadicalMarta Navarrete, Cipriano Rangel, Joaquín Espinosa-García, et al.
The Journal of Organic Chemistry|June 18, 2024
Norcaradiene-Cycloheptatriene Equilibrium: A Heavy-Atom Quantum Tunneling CaseJuan García de la Concepción, José C Corchado, Pedro Cintas, et al.
Journal of Computational Chemistry|July 28, 2015
A new QM/MM method oriented to the study of ionic liquidsM Luz Sánchez, José C Corchado, M Elena Martín, et al.
The Journal of Organic Chemistry|October 18, 1996
Münchnone-Alkene Cycloadditions: Deviations from the FMO Theory. Theoretical Studies in the Search of the Transition StateMartín Avalos, Reyes Babiano, Andrés Cabanillas, et al.
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