Molecular models of active sites of C1 and C2 hydrocarbon activation

G. M. Zhidomirov, V. I. Avdeev, N. U. Zhanpeisov, I. I. Zakharov, I. V. Yudanov

Research output: Contribution to journalArticlepeer-review

7 Citations (Scopus)


A short review of the quantum chemical approach to the problem of alkane activation is presented. The results of ab initio calculations of oxidative addition of methane molecules to the transition metal (TM) atoms and complexes are discussed, as well as some questions of methane dissociation on TM surfaces. Both homolytic and heterolytic mechanisms of methane activation on oxide systems are considered.

Original languageEnglish
Pages (from-to)383-387
Number of pages5
JournalCatalysis Today
Issue number3
Publication statusPublished - 1995 Jun 23
Externally publishedYes

ASJC Scopus subject areas

  • Catalysis
  • Chemistry(all)


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