Computational study on mechanisms and pathways of the atmospheric NH2 + IO reaction
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DOI: 10.1080/00268976.2019.1658908
Abstract: ABSTRACT The potential-energy surfaces of the amino radical (NH2) with IO reaction have been studied at the CCSD(T)/cc-pVTZ//MP2/6-311++G(d,p) level. Two kinds of pathways are revealed, namely H-abstraction and addition/elimination. Rice–Ramsperger–Kassel–Marcus theory and transition state theory… read more here.
Keywords: study mechanisms; computational study; rate constants; reaction ... See more keywords