Nonequilibrium Solvation and the Quantum Kramers Problem: Proton Transfer in Aqueous Glycine
- 17 January 2001
- journal article
- research article
- Published by American Chemical Society (ACS) in The Journal of Physical Chemistry A
- Vol. 105 (12) , 2563-2567
- https://doi.org/10.1021/jp003596l
Abstract
No abstract availableKeywords
This publication has 29 references indexed in Scilit:
- Intramolecular Proton Transfer of Glycine in Aqueous Solution Using Quantum Mechanics−Molecular Mechanics SimulationsThe Journal of Physical Chemistry A, 1998
- Potential Energy Function for Intramolecular Proton Transfer Reaction of Glycine in Aqueous SolutionThe Journal of Physical Chemistry A, 1998
- Quantum reaction in a condensed phase: Turnover behavior from new adiabatic factorizations and correctionsThe Journal of Chemical Physics, 1997
- Development of a Potential Surface for Simulation of Proton and Hydride Transfer Reactions in Solution: Application to NADH Hydride TransferThe Journal of Physical Chemistry A, 1997
- Quantum activated rates—an evolution operator approachThe Journal of Chemical Physics, 1996
- Chemical Reaction Dynamics in SolutionAnnual Review of Physical Chemistry, 1985
- Comparison of simple potential functions for simulating liquid waterThe Journal of Chemical Physics, 1983
- Monte carlo simulation of water solvent with biomolecules. Glycine and the corresponding zwitterionInternational Journal of Quantum Chemistry, 1978
- Analytical potentials from "ab initio" computations for the interaction between biomolecules. 1. Water with amino acidsJournal of the American Chemical Society, 1977
- Nonlinear generalized Langevin equationsJournal of Statistical Physics, 1973