| 1 |
Analytical Potential-Energy Surface for the Nh3+h(--)Nh2+h-2 Reaction - Application of Variational Transition-State Theory and Analysis of the Equilibrium-Constants and Kinetic Isotope Effects Using Curvilinear and Rectilinear Coordinates
Corchado JC, Espinosagarcia J
Journal of Chemical Physics, 106(10), 4013, 1997 |
| 2 |
Understanding the activation energy trends for the C2H4+OH->C2H4OH reaction by using canonical variational transition state theory
Villa J, GonzalezLafont A, Lluch JM, Corchado JC, EspinosaGarcia J
Journal of Chemical Physics, 107(18), 7266, 1997 |
| 3 |
Analytical surface for the reaction with no saddle-point NH3+F->NH2+FH. Application of variational transition state theory
EspinosaGarcia J, Corchado JC
Journal of Physical Chemistry A, 101(40), 7336, 1997 |
| 4 |
Importance of quantum effects for C-H bond activation reactions
EspinosaGarcia J, Corchado JC, Truhlar DG
Journal of the American Chemical Society, 119(41), 9891, 1997 |
| 5 |
Theoretical-Study of the Ch4+f-)Ch3+fh Reaction .1. Ab-Initio Reaction-Path
Corchado JC, Espinosagarcia J
Journal of Chemical Physics, 105(8), 3152, 1996 |
| 6 |
Theoretical-Study of the Ch4+f-)Ch3+fh Reaction .2. Semiempirical Surfaces
Corchado JC, Espinosagarcia J
Journal of Chemical Physics, 105(8), 3160, 1996 |
| 7 |
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
Espinosagarcia J, Corchado JC
Journal of Chemical Physics, 105(9), 3517, 1996 |
| 8 |
Recalibration of 2 Earlier Potential-Energy Surfaces for the Ch4+h-)Ch3+h-2 Reaction - Application of Variational Transition-State Theory and Analysis of the Kinetic Isotope Effects Using Rectilinear and Curvilinear Coordinates
Espinosagarcia J, Corchado JC
Journal of Physical Chemistry, 100(41), 16561, 1996 |
| 9 |
Dual-Level Reaction-Path Dynamics (the ///-Approach to Vtst with Semiclassical Tunneling) - Application to Oh+nh3-)H2O+nh2
Corchado JC, Espinosagarcia J, Hu WP, Rossi I, Truhlar DG
Journal of Physical Chemistry, 99(2), 687, 1995 |
| 10 |
Reliability of the Single-Point Calculation Technique at Characteristic Points of the Potential-Energy Surface
Espinosagarcia J, Corchado JC
Journal of Physical Chemistry, 99(21), 8613, 1995 |
