Publications
Author Title Type [ Year
]
] Filters: Author is Gregory A. Voth and First Letter Of Title is E [Clear All Filters]
. Electronic Structure Calculation of the Structures and Energies of the Three Pure Polymorphic Forms of Crystalline HMX. The Journal of Physical Chemistry B. 2000 ;104:1009-1013.
. Electrochemical Bond-Breaking Reactions: A Comparison of Large Scale Simulation Results with Analytical Theory. The Journal of Physical Chemistry B. 1999 ;103:3442-3448.
. Extension of Path Integral Quantum Transition State Theory to the Case of Nonadiabatic Activated Dynamics. The Journal of Chemical Physics. 1999 ;111:2869-2877.
. Exact Exchange in ab initio Molecular Dynamics: An Efficient Plane-wave based Algorithm. The Journal of Chemical Physics. 1998 ;108:4697-4700.
. Electron Transfer Across the Electrode/Electrolyte Interface: Influence of Redox Ion Mobility and Counterions. The Journal of Physical Chemistry. 1996 ;100:10746-10753.
. Effect of Solvent on Semiconductor Surface Electronic States: A First-principles Study. The Journal of Chemical Physics. 1995 ;103:7569-7575.
. An Effective Barrier Model for Describing Quantum Mechanical Activated Rate Processes in Condensed Phases. The Journal of Chemical Physics. 1991 ;94:7342-7352.
. An Effective Golden Rule Decay Rate Expression for Quasidissipative IVR Processes. The Journal of Chemical Physics. 1988 ;88:5547-5552.