José C. Corchado

发表

POTLIB 2001: A potential energy surface library for chemical systems☆

Thomas C. Allison, Albert F. Wagner, Donald G. Truhlar, 2002 .

A correction to the POTLIB Library described in “POTLIB 2001: A potential energy surface library for chemical systems”: [Comput. Phys. Comm. 144 (2002) 169–187]☆

Thomas C. Allison, Albert F. Wagner, Donald G. Truhlar, 2004 .

Test of variational transition state theory with multidimensional tunneling contributions against an accurate full-dimensional rate constant calculation for a six-atom system

Donald G. Truhlar, Jingzhi Pu, José C. Corchado, 2001 .

Potential energy surface, thermal, and state-selected rate coefficients, and kinetic isotope effects for Cl+CH4→HCl+CH3

Donald G. Truhlar, José C. Corchado, D. Truhlar, 2000 .

DUAL-LEVEL DIRECT DYNAMICS CALCULATIONS OF THE REACTION RATES FOR A JAHN-TELLER REACTION : HYDROGEN ABSTRACTION FROM CH4 OR CD4 BY O(3P)

Donald G. Truhlar, Yao-Yuan Chuang, José C. Corchado, 1998 .

Multiconfiguration molecular mechanics algorithm for potential energy surfaces of chemical reactions

Donald G. Truhlar, José C. Corchado, Jordi Villà, 2000 .

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

José C. Corchado, J. Corchado, Joaquin Espinosa-Garcia, 1996 .

Optimized Parameters for Scaling Correlation Energy

Donald G. Truhlar, José C. Corchado, D. Truhlar, 1999 .

Importance of Quantum Effects for C−H Bond Activation Reactions

Donald G. Truhlar, José C. Corchado, Joaquin Espinosa-Garcia, 1997 .

Variational transition‐state theory calculation using the direct dynamics method: NH3+H→NH2+H2 reaction

José C. Corchado, Joaquin Espinosa-Garcia, 1994 .

Quantum mechanical tunneling in methylamine dehydrogenase

Donald G. Truhlar, Jiali Gao, José C. Corchado, 2001 .

Dual-Level Reaction-Path Dynamics (the /// Approach to VTST with Semiclassical Tunneling). Application to OH + NH3 .fwdarw. H2O + NH2

Donald G. Truhlar, Wei-Ping Hu, José C. Corchado, 1995 .

Analytical potential energy surface for the NH3+H↔NH2+H2 reaction: Application of variational transition-state theory and analysis of the equilibrium constants and kinetic isotope effects using curvilinear and rectilinear coordinates

José C. Corchado, J. Corchado, Joaquin Espinosa-Garcia, 1997 .

Variational Transition-State Theory with Optimized Orientation of the Dividing Surface and Semiclassical Tunneling Calculations for Deuterium and Muonium Kinetic Isotope Effects in the Free Radical Association Reaction H + C2H4 → C2H5

Àngels González-Lafont, José M. Lluch, Donald G. Truhlar, 1999 .