Computations and estimates of rate coefficients for hydrocarbon reactions of interest to the atmospheres of outer solar system

Computer Science

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Atmospheric Chemistry, Gas Giant Planets, Hydrocarbons, Planetary Atmospheres, Reaction Kinetics, Recombination Coefficient, Activation Energy, Atmospheric Models, Chemical Bonds, Dissociation, Radicals

Scientific paper

The rate coefficients, including Arrhenius parameters, have been computed for a number of chemical reactions involving hydrocarbon species for which experimental data are not available and which are important in planetary atmospheric models. The techniques used to calculate the kinetic parameters include the Troe and semiempirical bond energy-bond order (BEBO) or bond strength-bond length (BSBL) methods.

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