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- Title
Quantum-Chemical Study on the Elementary Reaction Acts on Modified Silica Surface.
- Authors
Kukueva, V. V.; Lobanov, V. V.; Grebenyuk, A. G.
- Abstract
The intermediates of fire suppression substances, which could be used as alternatives for forbidden by the Montreal protocol halons, have been studied by Hartree-Fock method with use of 6-31 G* basis set. In order to increase fire extinguishing effect, the inhibitor molecules have been proposed to be immobilized on silica surface. It has been shown that destruction energy of grafted inhibiting molecules is less than that for the same free molecules.
- Subjects
SILICA; QUANTUM chemistry; FIRE extinguishing agents; FREE molecules; HARTREE-Fock approximation
- Publication
Chemistry, Physics & Technology of Surface / Khimiya, Fizyka ta Tekhnologiya Poverhni, 2011, Vol 2, Issue 3, p325
- ISSN
2079-1704
- Publication type
Article