Theoretical Modeling of the Hydrogen Abstraction Reaction of Fluoromethane by the Hydroxyl Radical
- 20 February 2001
- journal article
- research article
- Published by American Chemical Society (ACS) in The Journal of Physical Chemistry A
- Vol. 105 (11) , 2391-2400
- https://doi.org/10.1021/jp003260b
Abstract
No abstract availableThis publication has 64 references indexed in Scilit:
- Computational Study of the Kinetics of Hydrogen Abstraction from Fluoromethanes by the Hydroxyl RadicalThe Journal of Physical Chemistry A, 1998
- Reaction-path dynamics with harmonic vibration frequencies in curvilinear internal coordinates: H+trans-N2H2→N2H+H 2The Journal of Chemical Physics, 1997
- 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
- Rate coefficients for reactions of several hydrofluorocarbons with hydroxyl and oxygen atom(1D) and their atmospheric lifetimesThe Journal of Physical Chemistry, 1993
- Direct dynamics calculation of the kinetic isotope effect for an organic hydrogen-transfer reaction, including corner-cutting tunneling in 21 dimensionsJournal of the American Chemical Society, 1993
- Interpolated variational transition state theory and tunneling calculations of the rate constant of the reaction OH+CH4 at 223–2400 KThe Journal of Chemical Physics, 1993
- MORATE: a program for direct dynamics calculations of chemical reaction rates by semiempirical molecular orbital theoryComputer Physics Communications, 1993
- POLYRATE 4: A new version of a computer program for the calculation of chemical reaction rates for polyatomicsComputer Physics Communications, 1992
- Kinetics of the reaction of hydroxyl radical with methane and with nine chlorine- and fluorine-substituted methanes. 1. Experimental results, comparisons, and applicationsThe Journal of Physical Chemistry, 1982
- U.V. absorption of fluorocarbonsAtmospheric Environment (1967), 1976