New Potential Energy Function for Four-Atom Reactions. Application to OH + H2
- 21 October 1998
- journal article
- research article
- Published by American Chemical Society (ACS) in The Journal of Physical Chemistry A
- Vol. 102 (47) , 9631-9637
- https://doi.org/10.1021/jp982433i
Abstract
No abstract availableKeywords
This publication has 25 references indexed in Scilit:
- On the dynamics of the O(1D) + CF3Br reactionChemical Physics Letters, 1996
- The dynamics of the reaction OH + D2 → HOD + D: Crossed beam experiments and quantum mechanical scattering calculations on ab initio potential energy surfacesChemical Physics, 1996
- Theoretical Study of the O(1D) + HCl Reaction on a Model PotentialThe Journal of Physical Chemistry, 1995
- Electronic structure computations and theoretical chemical kinetics: developments at the interfaceComputer Physics Communications, 1994
- Rotationally inelastic and bound state dynamics of H2-OH(X2Π)Molecular Physics, 1994
- Analytical potential surface for the formyl fluoride .fwdarw. hydrogen fluoride + carbon monoxide unimolecular reactionThe Journal of Physical Chemistry, 1993
- A realistic double many-body expansion (DMBE) potential energy surface for ground-state O3from a multiproperty fit toab initiocalculations, and to experimental spectroscopic, inelastic scattering, and kinetic isotope thermal rate dataMolecular Physics, 1988
- Potential energy surfaces for polyatomic reaction dynamicsChemical Reviews, 1987
- The many-body expansion of multi-valued surfacesMolecular Physics, 1986
- A quasi-classical trajectory study of product vibrational distributions in the OH + H2 → H2O + H reactionChemical Physics Letters, 1980