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

Corresponding authors
School of Chemistry and Chemical Engineering, Shanghai Jiao Tong University, 200240 Shanghai, China
Department of Chemistry, Universität Siegen, 57068 Siegen, Germany
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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