| 1 |
Origin of the transition state on the free energy surface : Intramolecular proton transfer reaction of glycine in aqueous solution
Nagaoka M, Okuyama-Yoshida N, Yamabe T
Journal of Physical Chemistry A, 102(42), 8202, 1998 |
| 2 |
Intramolecular proton transfer of glycine in aqueous solution using quantum mechanics-molecular mechanics simulations
Tunon I, Silla E, Millot C, Martins-Costa MTC, Ruiz-Lopez MF
Journal of Physical Chemistry A, 102(45), 8673, 1998 |
| 3 |
Molecular-Dynamics Simulations of Elementary Chemical Processes in Liquid Water Using Combined Density-Functional and Molecular Mechanics Potentials .2. Charge Separation Processes
Strnad M, Martinscosta MT, Millot C, Tunon I, Ruizlopez MF, Rivail JL
Journal of Chemical Physics, 106(9), 3643, 1997 |
| 4 |
Microscopic Description of Nonadiabatic, Nonequilibrium, and Equilibrium Solvations for Solvated Cluster Reactions - (H2O)(N)Cl-+ch3Cl-)Clch3+cl-(H2O)(N)
Okuno Y
Journal of Chemical Physics, 105(14), 5817, 1996 |
| 5 |
Vb Resonance Theory in Solution .1. Multistate Formulation
Bianco R, Hynes JT
Journal of Chemical Physics, 102(20), 7864, 1995 |
| 6 |
The Potential-Energy Function for a Ligand Substitution-Reaction of Square-Planar Platinum(II) Complex in Water - The Important Role of 3-Body Effect
Muguruma C, Koga N, Kitaura K, Morokuma K
Journal of Chemical Physics, 103(21), 9274, 1995 |
| 7 |
Nonequilibrium Free-Energy Functions, Recombination Dynamics, and Vibrational-Relaxation of I2- in Acetonitrile - Molecular-Dynamics of Charge Flow in the Electronically Adiabatic Limit
Benjamin I, Barbara PF, Gertner BJ, Hynes JT
Journal of Physical Chemistry, 99(19), 7557, 1995 |
| 8 |
Molecular-Dynamics of Thermal-Dissociation in Liquid N2O4
Kato T, Hayashi S, Oobatake M, Machida K
Journal of Chemical Physics, 100(4), 2777, 1994 |
| 9 |
Vibrational-Excitation in Products of Nucleophilic-Substitution - The Dissociation of Metastable X(-)(Ch3Y) in the Gas-Phase
Graul ST, Bowers MT
Journal of the American Chemical Society, 116(9), 3875, 1994 |
