Rate Constant and Branching Fraction for the NH2 + NO2 Reaction
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چکیده
منابع مشابه
Ab initio study of the ClO + NH2 reaction: prediction of the total rate constant and product branching ratios.
The mechanism for ClO + NH2 has been investigated by ab initio molecular orbital and transition-state theory calculations. The species involved have been optimized at the B3LYP/6-311+G(3df,2p) level and their energies have been refined by single-point calculations with the modified Gaussian-2 method, G2M(CC2). Ten stable isomers have been located and a detailed potential energy diagram is provi...
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ژورنال
عنوان ژورنال: The Journal of Physical Chemistry A
سال: 2013
ISSN: 1089-5639,1520-5215
DOI: 10.1021/jp4068069