Cluster quantum chemical study of the interaction of dimethyl methylphosphonate with magnesium oxide

Nurbosyn Zhanpeisov, G. M. Zhidomirov, I. V. Yudanov, K. J. Klabunde

Research output: Contribution to journalArticlepeer-review

33 Citations (Scopus)

Abstract

In the framework of a supermolecular approach using the MINDO/3 method the various channels of dimethyl methylphosphonate (DMMP) adsorption on a magnesium oxide surface are considered. On the basis of calculational results the possible mechanism of destructive adsorption of DMMP on MgO is discussed.

Original languageEnglish
Pages (from-to)10032-10035
Number of pages4
JournalJournal of physical chemistry
Volume98
Issue number40
DOIs
Publication statusPublished - 1994 Jan 1
Externally publishedYes

ASJC Scopus subject areas

  • Engineering(all)
  • Physical and Theoretical Chemistry

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