| 1 |
Classical trajectory study of CD2OH+-> CDO++HD on potential energy surfaces constructed at various quantum chemical levels: Scaling of product mode-specific energies
Moon JH, Park ST, Kim MS
Journal of Chemical Physics, 110(2), 972, 1999 |
| 2 |
Optimized parameters for scaling correlation energy
Fast PL, Corchado J, Sanchez ML, Truhlar DG
Journal of Physical Chemistry A, 103(17), 3139, 1999 |
| 3 |
Interpolated variational transition-state theory by mapping
Corchado JC, Coitino EL, Chuang YY, Fast PL, Truhlar DG
Journal of Physical Chemistry A, 102(14), 2424, 1998 |
| 4 |
Variational transition state theory and tunneling calculations with reorientation of the generalized transition states for methyl cation transfer
Gonzalez-Lafont A, Villa J, Lluch JM, Bertran J, Steckler R, Truhlar DG
Journal of Physical Chemistry A, 102(19), 3420, 1998 |
| 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 |
Kinetic Isotope Effects as Tools to Reveal Solvation Changes Accompanying a Proton-Transfer - A Canonical Unified Statistical-Theory Calculation
Villa J, Gonzalezlafont A, Lluch JM
Journal of Physical Chemistry, 100(50), 19389, 1996 |
| 10 |
Reaction-Path Potential and Vibrational Frequencies in Terms of Curvilinear Internal Coordinates
Jackels CF, Gu Z, Truhlar DG
Journal of Chemical Physics, 102(8), 3188, 1995 |
