Stabilizing small particles of lithium hydroxide with adsorbed water molecules: a quantum chemical study

• Published in: Поверхность
• Date: 2002
• Main Author: Grebenyuk, A.G.
• Format: Article
• Language: English
• Published: Інститут хімії поверхні ім. О.О. Чуйка НАН України 2002
• Subjects: Surface properties of inorganic materials
• Online Access: https://nasplib.isofts.kiev.ua/handle/123456789/126354
• Journal Title: Digital Library of Periodicals of National Academy of Sciences of Ukraine
• Cite this: Stabilizing small particles of lithium hydroxide with adsorbed water molecules: a quantum chemical study / A.G. Grebenyuk // Поверхность. — 2002. — Вип. 7-8. — С. 82-88. — Бібліогр.: 14 назв. — англ.

Quantum chemical calculations have been carried out of the energetic and geometric characteristics of the lithium hydroxide molecular models within the frameworks of both semiempirical (the MNDO method) and ab initio (the STO-3G and 6-31G basises being used) approaches. The adsorption of water molec...