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

• Datum: 2002
• 1. Verfasser: Grebenyuk, A. G.
• Format: Artikel
• Sprache: Englisch
• Veröffentlicht: Chuiko Institute of Surface Chemistry National Academy of Sciences of Ukraine 2002
• Online Zugang: https://surfacezbir.com.ua/index.php/surface/article/view/85
• Назва журналу: Surface

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...