New Insights into the Dynamics of Concerted Proton Tunneling in Cyclic Water and Hydrogen Fluoride Clusters
- 1 June 1997
- journal article
- research article
- Published by American Chemical Society (ACS) in The Journal of Physical Chemistry A
- Vol. 101 (26) , 4707-4716
- https://doi.org/10.1021/jp9712462
Abstract
No abstract availableKeywords
This publication has 37 references indexed in Scilit:
- Small Clusters of Water Molecules Using Density Functional TheoryThe Journal of Physical Chemistry, 1996
- Hydrogen Bond Energy of the Water DimerThe Journal of Physical Chemistry, 1996
- Theoretical Study of Hydroxide Ion-Water ClustersJournal of the American Chemical Society, 1995
- Detailed Study of the Water Trimer Potential Energy SurfaceJournal of the American Chemical Society, 1995
- Interpolated variational transition-state theory and semiclassical tunneling calculations of the rate constant of the reaction hydroxyl + ethane at 200-3000 KThe Journal of Physical Chemistry, 1994
- Electron affinities of the first-row atoms revisited. Systematic basis sets and wave functionsThe Journal of Chemical Physics, 1992
- Gas-phase structure and conformations of malonyl difluoride (COF-CH2-COF) and difluoromalonyl difluoride (COF-CF2-COF). An electron diffraction and ab initio studyJournal of the American Chemical Society, 1991
- Vibronic hole-burning spectroscopy of small clusters involving peryleneThe Journal of Physical Chemistry, 1991
- From Force Fields to Dynamics: Classical and Quantal PathsScience, 1990
- Variational Transition State TheoryAnnual Review of Physical Chemistry, 1984