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Computational study of oxygen atom (3P and 1D) reactions with CF3CN

Jingyu Sun,a   Yizhen Tang,b   Xiujuan Jia,a   Fang Wang,a   Hao Sun,ac   Yunju Zhang,a   ShuWei Tang,a   Fengdi Wang,a   Yingfei Chang,*a   Yongji Lu,d   Xiumei Pan,a   Jingping Zhanga and   Rongshun Wang*a  
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a
Institute of Functional Material Chemistry, Faculty of Chemistry, Northeast Normal University, Renmin Road 5268, Changchun, Jilin 130024, P.R. China
E-mail: wangrs@nenu.edu.cn, changyf299@nenu.edu.cn;
Fax: +86 431 8509 9511 ;
Tel: +86 431 8509 9511
b
Centre for Theoretical and Computational Chemistry, Department of Chemistry, University of Oslo, P.O. Box. 1033, Blindern 0315 Oslo, Norway
c
Institute of Theoretical Chemistry, State Key Laboratory of Theoretical and Computational Chemistry, Jilin University, Changchun, Jilin 130023, P.R. China
d
Department of Aviation Theory, Aviation University of Air Force, Changchun, Jilin 130022, P.R. China
Phys. Chem. Chem. Phys., 2010,12, 10846-10856

DOI: 10.1039/C004284F
Received 16 Mar 2010, Accepted 12 May 2010
First published online 26 Jul 2010
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