Kinetic isotope effects in the reactions of D atoms with CH4, C2H6, and CH3OH: Quantum dynamics calculations
A practical procedure of calculating quantum rate constants for polyatomic reactions presented previously has been extended in this paper to investigate the kinetic isotope effects (KIEs) for the following reactions: D + CH 4, D + C2H6, D + C2D6, and D + CH3OH. The method involves treating the quant...
| Main Authors: | , |
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| Format: | Journal article |
| Language: | English |
| Published: |
2004
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