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Paper

Investigation of spin-flip reactions of Nb + CH3CN by relativistic density functional theory

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Corresponding authors
a
School of Chemistry and Chemical Engineering, Shanghai Jiao Tong University, 200240 Shanghai, China
E-mail: sgwang@sjtu.edu.cn
b
Department of Chemistry, Universität Siegen, 57068 Siegen, Germany
E-mail: schwarz@chemie.uni-siegen.de
Phys. Chem. Chem. Phys., 2012,14, 6833-6841

DOI: 10.1039/C2CP23225A
Received 13 Oct 2011, Accepted 21 Mar 2012
First published online 22 Mar 2012
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