Теоретичне дослідження взаємодії поверхні кремнезему з водними розчинами фтороводню

• Datum: 2008
• Hauptverfasser: Kravchenko, A. A., Grebenyuk, A. G., Lobanov, V. V.
• Format: Artikel
• Sprache: Ukrainisch
• Veröffentlicht: Chuiko Institute of Surface Chemistry National Academy of Sciences of Ukraine 2008
• Online Zugang: https://surfacezbir.com.ua/index.php/surface/article/view/249
• Назва журналу: 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...