Квантово-хімічне дослідження елементарних актів реакцій на поверхні модифікованого кремнезему

• Date: 2011
• Main Authors: Kukueva, V. V., Lobanov, V. V., Grebenyuk, A. G.
• Format: Article
• Language: Ukrainian
• Published: Chuiko Institute of Surface Chemistry National Academy of Sciences of Ukraine 2011
• Online Access: https://www.cpts.com.ua/index.php/cpts/article/view/109
• Journal Title: Chemistry, Physics and Technology of Surface

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 b...