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• W2064603531 abstract "An empirically calibrated potential energy surface, obtained previously [J. Chem. Phys. 61, 21 (1974)], was used in a trajectory study of the effect of reactant energy partitioning on cross section for CH3 + H2 → CH4 + H. Artificial variations in the barrier position, and artificial and naturally occuring changes in the H masses, were also made. For natural CH3 + H2, H2 vibration enhances and CH3 out‐of‐plane bending depresses the cross section, at constant (25 kcal) translational energy of approach. The isotope substitution and barrier position effects are more complex and not predictable from triatomic A + BC generalizations. The relationship of these results to experimental ones is discussed." @default.
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• W2064603531 date "1975-04-01" @default.
• W2064603531 modified "2023-09-27" @default.
• W2064603531 title "An exploratory study of reactant vibrational effects in CH₃ + H₂ and its isotopic variants" @default.
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• W2064603531 doi "https://doi.org/10.1063/1.430827" @default.
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