Reaction kinetics of the CN radical with primary alcohols
نویسندگان
چکیده
منابع مشابه
Ab Initio Theoretical Studies on the Kinetics of the Hydrogen Abstraction Reaction of Hydroxyl Radical with CH3CH2OCF2CHF2 (HFE-374pc2)
The hydrogen abstraction reaction of OH radical with CH3CH2OCF2CHF2 (HFE-374pc2) is investigated theoretically by semi-classical transition state theory. The stationary points on the potential energy surface of the reaction are located by using KMLYP density functional method along with 6-311++G(d,p) basis set. Vibrational anharmonicity coefficients, ...
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ژورنال
عنوان ژورنال: Chemical Physics Letters
سال: 2015
ISSN: 0009-2614
DOI: 10.1016/j.cplett.2015.02.022