Theoretical investigation on atmospheric reaction of O(P-3) with CH2CN

Zhang, YJ; Sun, YX

Zhang, YJ (reprint author), Mianyang Normal Univ, Key Lab Photoinduced Funct Mat, Mianyang 621000, Peoples R China.

JOURNAL OF PHYSICAL ORGANIC CHEMISTRY, 2019; 32 (4):

Abstract

The degradation reaction of CH2CN radical with O(P-3) was firstly studied using quantum chemical methods. The energetics were calculated at CCSD(T)/cc......

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