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Energetics and mechanism of dinitrogen cleavage at a mononuclear surface tantalum center: a new way of dinitrogen reduction |
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| Authors: | Li Jun Li Shuhua |
| Institution: | School of Chemistry and Chemical Engineering, Institute of Theoretical and Computational Chemistry, Key Laboratory of Mesoscopic Chemistry of Ministry of Education, Nanjing University, Jiangsu 210093, PR China. |
| Abstract: | |
| Keywords: | coordination modes density functional calculations nitrogen fixation reaction mechanisms tantalum |
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