VARIATION OF REACTION RATE WITH VIBRATIONAL STATE
نویسندگان
چکیده
منابع مشابه
Direct ab initio dynamics studies of vibrational-state selected reaction rate of the OH1H2 ̃H1H2O reaction
We present direct ab initio dynamics studies of vibrational-state selected reaction rates of the OH1H2→H1H2O reaction. Rate constants for both the OH1H2~v51! and OH~v51!1H2 reactions were calculated based on a full variational transition state theory plus multidimensional semiclassical tunneling approximations within a statistical diabatic model. The potential energy surface information was cal...
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ژورنال
عنوان ژورنال: Proceedings of the National Academy of Sciences
سال: 1957
ISSN: 0027-8424,1091-6490
DOI: 10.1073/pnas.43.5.429