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

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

doi:10.1021/j100091a015

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 journal › Article › peer-review

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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 language	English
Pages (from-to)	10032-10035
Number of pages	4
Journal	Journal of physical chemistry
Volume	98
Issue number	40
DOIs	https://doi.org/10.1021/j100091a015
Publication status	Published - 1994 Jan 1
Externally published	Yes

ASJC Scopus subject areas

Engineering(all)
Physical and Theoretical Chemistry

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10.1021/j100091a015

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title = "Cluster quantum chemical study of the interaction of dimethyl methylphosphonate with magnesium oxide",

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.",

author = "Nurbosyn Zhanpeisov and Zhidomirov, {G. M.} and Yudanov, {I. V.} and Klabunde, {K. J.}",

year = "1994",

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doi = "10.1021/j100091a015",

language = "English",

volume = "98",

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journal = "Journal of Physical Chemistry",

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AU - Zhanpeisov, Nurbosyn

AU - Zhidomirov, G. M.

AU - Yudanov, I. V.

AU - Klabunde, K. J.

PY - 1994/1/1

Y1 - 1994/1/1

N2 - 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.

AB - 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.

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

Abstract

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