Organometallics

Computational mechanistic study on Cp* Ir complex-mediated acceptorless alcohol dehydrogenation: Bifunctional hydrogen transfer vs β-H elimination

H Li, G Lu, J Jiang, F Huang, ZX Wang

文献索引：Nomura, Kotohiro; Saito, Yasukazu; Shinoda, Sumio Journal of Molecular Catalysis, 1989 , vol. 52, p. 99 - 112

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被引用次数: 45

摘要

... Select a Journal or Book ... A catalyst is essentially a molecule that elegantly combines the proper electronic and geometric structures together. ... it is generally accepted that the most popular B3LYP functional(43) performs well for the transition metal molecular systems. ...