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Vibrational dephasing of CH stretching vibrations in compounds containing the CH3 or the CCH group

✍ Scribed by F.G. Dijkman

Publisher
Elsevier Science
Year
1978
Tongue
English
Weight
914 KB
Volume
34
Category
Article
ISSN
0301-0104

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Sensitivity of the H + CH3 → CH4 recombi
Sensitivity of the H + CH3 → CH4 recombination rate constant to the shape of the CH stretching potential
✍ Ronald J. Duchovic; William L. Hase 📂 Article 📅 1984 🏛 Elsevier Science 🌐 English ⚖ 325 KB

Using a potential-energy surface obtained in part from ab initio calculations, the H + CH3 -CH4 bimolecular rate constant at T = 300 K is determined from a Monte Carlo classical trajectory study. Representing the C-H stretching potential with n standard Morse fun&on instead ofthe ab inirio curveincr