Theory and modeling in combustion chemistry
- 1 January 1996
- journal article
- Published by Elsevier in Symposium (International) on Combustion
- Vol. 26 (1) , 461-480
- https://doi.org/10.1016/s0082-0784(96)80249-9
Abstract
No abstract availableKeywords
This publication has 50 references indexed in Scilit:
- Quantum mechanical calculation of the rate constant for the reaction H+O2→OH+OThe Journal of Chemical Physics, 1994
- Beyond transition-state theory: a rigorous quantum theory of chemical reaction ratesAccounts of Chemical Research, 1993
- Recalibration of a single-valued double many-body expansion potential energy surface for ground-state hydroperoxy and dynamics calculations for the oxygen atom + hydroxyl .fwdarw. oxygen + hydrogen atom reactionThe Journal of Physical Chemistry, 1990
- Quasiclassical trajectory calculations of the thermal rate coefficient for the oxygen atom + hydroxyl .fwdarw. oxygen + hydrogen atom reaction on realistic double many-body expansion potential energy surfaces for ground-state hydroperoxyThe Journal of Physical Chemistry, 1988
- Nonstatistical effects and detailed balance in quasiclassical trajectory calculations of the thermal rate coefficient for O+OH→O2+HThe Journal of Chemical Physics, 1986
- Variational unimolecular rate theoryAccounts of Chemical Research, 1983
- Variational transition-state theoryAccounts of Chemical Research, 1980
- The potential energy surface of the HO2 molecular systemChemical Physics Letters, 1979
- Importance of nonseparability in quantum mechanical transition-state theoryAccounts of Chemical Research, 1976
- On non-RRKM unimolecular kinetics: Molecules in general, and CH3NC in particularThe Journal of Chemical Physics, 1973