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Density Functional Theory Study on the Reaction Mechanism of Ni+-catalysed Cyclohexane Dehydrogenation

Yuan, Yongning,Yuan, Nini,Guo, Tuo,Bai, Hongcun,Xia, Hongqiang,Ren, Yanjiao,Guo, Qingjie

Structural Chemistry（2022）

Cited 2|Views14
Key words
Density functional theory,Reaction mechanism,Curtin–Hammett principle,Atomic transition-metal cation
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