| 1 |
Proton-Coupled Electron-Transfer Reactions in Solution - Molecular-Dynamics with Quantum Transitions for Model Systems
Fang JY, Hammesschiffer S
Journal of Chemical Physics, 106(20), 8442, 1997 |
| 2 |
An Analytical Derivation of MC-SCF Vibrational Wave-Functions for the Quantum Dynamical Simulation of Multiple Proton-Transfer Reactions - Initial Application to Protonated Water Chains
Drukker K, Hammesschiffer S
Journal of Chemical Physics, 107(2), 363, 1997 |
| 3 |
Excited state dynamics with nonadiabatic transitions for model photoinduced proton-coupled electron transfer reactions
Fang JY, HammesSchiffer S
Journal of Chemical Physics, 107(15), 5727, 1997 |
| 4 |
Nonadiabatic dynamics for processes involving multiple avoided curve crossings: Double proton transfer and proton-coupled electron transfer reactions
Fang JY, HammesSchiffer S
Journal of Chemical Physics, 107(21), 8933, 1997 |
| 5 |
Development of a Potential Surface for Simulation of Proton and Hydride Transfer-Reactions in Solution - Application to NADH Hydride Transfer
Hurley MM, Hammesschiffer S
Journal of Physical Chemistry A, 101(21), 3977, 1997 |
| 6 |
Multiconfigurational Molecular-Dynamics with Quantum Transitions - Multiple Proton-Transfer Reactions
Hammesschiffer S
Journal of Chemical Physics, 105(6), 2236, 1996 |
| 7 |
Nonadiabatic Transition-State Theory and Multiple Potential-Energy Surface Molecular-Dynamics of Infrequent Events
Hammesschiffer S, Tully JC
Journal of Chemical Physics, 103(19), 8528, 1995 |
| 8 |
Vibrationally Enhanced Proton-Transfer
Hammesschiffer S, Tully JC
Journal of Physical Chemistry, 99(16), 5793, 1995 |
| 9 |
A New Formulation of the Hartree-Fock-Roothaan Method for Electronic-Structure Calculations on Crystals
Hammesschiffer S, Andersen HC
Journal of Chemical Physics, 101(1), 375, 1994 |
| 10 |
Proton-Transfer in Solution - Molecular-Dynamics with Quantum Transitions
Hammesschiffer S, Tully JC
Journal of Chemical Physics, 101(6), 4657, 1994 |
