Ab initio study of proton transfer in [H3N−H−NH3]+ and [H3N−H−OH2]+
- 14 December 1990
- journal article
- Published by Elsevier in Chemical Physics Letters
- Vol. 175 (4) , 282-288
- https://doi.org/10.1016/0009-2614(90)80111-p
Abstract
No abstract availableKeywords
This publication has 20 references indexed in Scilit:
- A combined quantum mechanical and molecular mechanical potential for molecular dynamics simulationsJournal of Computational Chemistry, 1990
- A dynamical theory of nonadiabatic proton and hydrogen atom transfer reaction rates in solutionChemical Physics Letters, 1989
- Hydrogen Tunneling in Enzyme ReactionsScience, 1989
- Proton Circuits in Biological Energy InterconversionsAnnual Review of Biophysics, 1988
- Time-dependent quantum-mechanical methods for molecular dynamicsThe Journal of Physical Chemistry, 1988
- Free energy perturbation method for chemical reactions in the condensed phase: a dynamic approach based on a combined quantum and molecular mechanics potentialJournal of the American Chemical Society, 1987
- Cooperative effects in extended hydrogen bonded systems involving O-H groups. Ab initio studies of the cyclic S4 water tetramerJournal of Computational Chemistry, 1987
- Theoretical correlation of structure and energetics in the catalytic reaction of trypsinJournal of the American Chemical Society, 1986
- Excited State Electron and Proton TransfersAnnual Review of Physical Chemistry, 1986
- Dynamics of enzymatic reactions.Proceedings of the National Academy of Sciences, 1984