Based on density functional theory (DFT) and B3LYP method,we made a theoretical study of theα?hydrogen transfer reaction system involving organometallic rhenium complexes R3R3′(NHR4)Re (=CHR1)(=NR2).
本文采用密度泛函理论B3LYP方法对有机铼化合物参与的α?氢转移反应体系进行了理论研究。
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