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

• Date: 2002
• Main Authors: Kukueva, V. V., Kirilov, O. A., Grebenyuk, A. G., Lobanov, V. V.
• Format: Article
• Language: English
• Published: Chuiko Institute of Surface Chemistry National Academy of Sciences of Ukraine 2002
• Online Access: https://surfacezbir.com.ua/index.php/surface/article/view/94
• Journal Title: Surface

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...