Computational study of oxygen atom (3P and 1D) reactions with CF3CN†
Abstract
Singlet and triplet potential energy surfaces for the reactions of
* Corresponding authors
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
Singlet and triplet potential energy surfaces for the reactions of
J. Sun, Y. Tang, X. Jia, F. Wang, H. Sun, Y. Zhang, S. Tang, F. Wang, Y. Chang, Y. Lu, X. Pan, J. Zhang and R. Wang, Phys. Chem. Chem. Phys., 2010, 12, 10846 DOI: 10.1039/C004284F
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