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Wei-Wei Zhu, Lin Jin, Zhong-Hua Cui, Shao-Wen Zhang and Yi-Hong Ding Understanding the oxidation of the tricarbon radical C3H: A reaction pathway survey International Journal of Quantum Chemistry 113

Article first published online: 13 JUN 2013 | DOI: 10.1002/qua.24490

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Recent observation of molecular oxygen in interstellar space illustrates the need for a mechanistic understanding of oxidation processes of various interstellar species. This manuscript studies the oxidation mechanism of the chainlike l-C3H (also detected in space) by molecular oxygen. It finds that the energetically most stable product is also kinetically the least stable. The overall reaction is found to be barrierless, and results in the abundant product C2H.

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