stereodynamics study of the reaction of o(3p) with ch4 (v = 0 ,j = 0)stereodynamics研究o(3 p)和甲烷的反应(v = 0,j = 0).pdfVIP

stereodynamics study of the reaction of o(3p) with ch4 (v = 0 ,j = 0)stereodynamics研究o(3 p)和甲烷的反应(v = 0,j = 0).pdf

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stereodynamics study of the reaction of o(3p) with ch4 (v = 0 ,j = 0)stereodynamics研究o(3 p)和甲烷的反应(v = 0,j = 0)

Int. J. Mol. Sci. 2009, 10, 2146-2157; doi:10.3390/ijm OPEN ACCESS International Journal of Molecular Sciences ISSN 1422-0067 /journal/ijms Article 3 Stereodynamics Study of the Reaction of O( P) with CH4 (v = 0,j = 0) Yufang Liu *, Yali Gao, Hongsheng Zhai, Deheng Shi and Jinfeng Sun Department of Physics, Henan Normal University, Xinxiang 453007, China; E-Mails: hongsheng419@163.com (H.Z.); scattering@ (D.S.); wlxyzfz@ (J.S.) * Author to whom correspondence should be addressed; E-Mail: yf-liu@; Tel. +86-373-3329097; Fax: +86-373-3326187 Received: 7 March 2009 / Accepted: 2 May 2009 / Published: 14 May 2009 Abstract: A new London-Eyring-Polanyi-Sato (LEPS) potential energy surface (PES) is used in the O + CH4 → OH + CH3 reaction via the quasiclassical trajectory method (QCT). Comparing with the experiments and the former ab initio calculations, the new LEPS PES describes the actual potential energy surface of the O + CH4 reaction successfully. The four polarization dependent “generalized” differential cross sections (PDDCS) are presented in the center of mass frame. In the meantime, the distribution of dihedral angle [P(), the distribution of angle between k and j  (P(θ)] and the angular r

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