CLUSTER QUANTUM-CHEMICAL STUDY OF THE INTERACTION OF DIMETHYL METHYLPHOSPHONATE WITH MAGNESIUM-OXIDE

Authors
ZHANPEISOV NU ZHIDOMIROV GM YUDANOV IV KLABUNDE KJ
Citation
Nu. Zhanpeisov et al., CLUSTER QUANTUM-CHEMICAL STUDY OF THE INTERACTION OF DIMETHYL METHYLPHOSPHONATE WITH MAGNESIUM-OXIDE, Journal of physical chemistry, 98(40), 1994, pp. 10032-10035
Citations number
16
Categorie Soggetti
Chemistry Physical
Journal title
Journal of physical chemistry → ACNP
ISSN journal
00223654
Volume
98
Issue
40
Year of publication
1994
Pages
10032 - 10035
Database
ISI
SICI code
0022-3654(1994)98:40<10032:CQSOTI>2.0.ZU;2-G
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 calculati onal results the possible mechanism of destructive adsorption of DMMP on MgO is discussed.