Unimolecular and bimolecular calculations for HN2.
نویسندگان
چکیده
Using a recently reported double many-body expansion potential energy surface, quasi-classical, statistical mechanics, and quantum resonance calculations have been performed for the HN(2) system by focusing on the determination of bimolecular (N + NH and H + N(2)) and unimolecular (decomposition of HN(2)) rate constants as well as the relevant equilibrium constants.
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عنوان ژورنال:
- The journal of physical chemistry. A
دوره 109 10 شماره
صفحات -
تاریخ انتشار 2005