Theoretical analysis of thermal destruction of dimethyl phosphates immobilized on dispersed silica surface

• Published in: Поверхность
• Date: 2002
• Main Authors: Kukueva, V.V., Kirilov, O.A., Grebenyuk, A.G., Lobanov, V.V.
• Format: Article
• Language: English
• Published: Інститут хімії поверхні ім. О.О. Чуйка НАН України 2002
• Subjects: Surface chemistry of silica and related sorbents
• Online Access: https://nasplib.isofts.kiev.ua/handle/123456789/126363
• Journal Title: Digital Library of Periodicals of National Academy of Sciences of Ukraine
• Cite this: Theoretical analysis of thermal destruction of dimethyl phosphates immobilized on dispersed silica surface / V.V. Kukueva, O.A. Kirilov, A.G. Grebenyuk, V.V. Lobanov // Поверхность. — 2002. — Вип. 7-8. — С. 158-162. — Бібліогр.: 10 назв. — англ.

The calculations on the electronic and space structure have been carried out for both trimethyl phosphate molecule and that supported at silica surface within the frameworks of the SCF MO LCAO MNDO valence approximation. The routes of these systems destruction have been studied. The decomposition of...