Теоретичне дослідження взаємодії поверхні кремнезему з водними розчинами фтороводню

• Date: 2008
• Main Authors: Kravchenko, A. A., Grebenyuk, A. G., Lobanov, V. V.
• Format: Article
• Language: Ukrainian
• Published: Chuiko Institute of Surface Chemistry National Academy of Sciences of Ukraine 2008
• Online Access: https://surfacezbir.com.ua/index.php/surface/article/view/249
• Journal Title: Surface

Equilibrium spatial structures and formation energies have been calculated for hydrofluoric acid complexes on silica surface by means of ab initio Hartree-Fock-Roothaan method with use of extended basis set 6-311++G**. The interaction has been examined between orthosilicic acid and hydrofluoric acid...