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Updated: Jul 13, 2026

Synthesis and Performance Characterizations of Transition Metal Single Atom Catalyst for Electrochemical CO2 Reduction
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Published on: April 10, 2018

由复合物催化的乙二化反应的DFT计算研究

Andrea Bottoni1, Alicia Perez Higueruelo, Gian Pietro Miscione

  • 1Dipartimento di Chimica "G.Ciamician", Universita' di Bologna, via Selmi 2, 40126 Bologna, Italy. andrea@ciamserv.unibo.it

Journal of the American Chemical Society
|May 9, 2002
PubMed
概括

这项研究详细介绍了使用DFT ((B3LYP) 计算的化乙基化. 催化循环涉及氧化添加,多步骤的基转移和异构化,最终形成 (Z) -bis (基) 乙烯.

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