Multicoefficient Gaussian-3 calculation of the rate constant for the OH + CH 4 reaction and its 12C/ 13C kinetic isotope effect with emphasis on the effects of coordinate system and torsional treatment

Benjamin A. Ellingson, Jingzhi Pu, Hai Lin, Yan Zhao, Donald G. Truhlar

Research output: Contribution to journal › Article › peer-review

30 Scopus citations

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Physics & Astronomy

Chemical Compounds