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Decomposition of methylamine on nitrogen atom modified Mo(100): a density functional theory study

Cun-Qin Lv,a   Jian-Hong Liu,a   Yong Guo*a and   Gui-Chang Wang*ab  
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a
College of Chemistry and Chemical Engineering, Shanxi Datong University, Datong 037009, P. R. China
E-mail: ybsy_g@263.net, wangguichang@nankai.edu.cn;
Fax: +86-22-23502458 ;
Tel: +86-22-23503824
b
Department of Chemistry and the Center of Theoretical Chemistry Study, Nankai University, Tianjin 300071, P. R. China
Phys. Chem. Chem. Phys., 2012,14, 6869-6882

DOI: 10.1039/C2CP24032G
Received 18 Dec 2011, Accepted 19 Mar 2012
First published online 20 Mar 2012
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