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- W13156742 abstract "We present a theoretical study of the effect of reagent vibrational excitation on cross sections and rate constants for the reactions H + HCN (ν1ν2ν3) → H2 + CN and H + N2O(ν1ν2ν3) → N2 + OH, NH + NO. For H + HCN, we study the states (000), (004) and (302), and we find that C-H stretch excitation is much more effective than C-N stretch in lowering the reactive threshold energy and thus enhancing the rate constant. For H + N2O we study the states (000), (100), (0110) and (001). Here N-N stretch excitation is more effective in enhancing the cross section at low energy where the reaction mechanism involves HNNO complex formation. At higher energy (3.3 kcal/mol above threshold and higher), N-O stretch excitation is more effective in enhancing the reaction cross section, due to the dominance of a direct mechanism involving a N-N-O-H transition state." @default.
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- W13156742 date "1996-01-01" @default.
- W13156742 modified "2023-09-27" @default.
- W13156742 title "Mode-Specific Chemistry in the H + HCN and H + N2O Reactions" @default.
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- W13156742 doi "https://doi.org/10.1007/978-3-642-80299-7_10" @default.
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