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

dc.contributor.author	Grebenyuk, A.G.
dc.date.accessioned	2017-11-20T18:33:17Z
dc.date.available	2017-11-20T18:33:17Z
dc.date.issued	2002
dc.identifier.citation	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.	uk_UA
dc.identifier.issn	XXXX-0106
dc.identifier.uri	http://dspace.nbuv.gov.ua/handle/123456789/126354
dc.description.abstract	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 molecules has been shown to result in stabilizing small particles of the compound. The vibrational spectra of the LiOH microcrystallites have been also examined.	uk_UA
dc.description.sponsorship	The author thanks Prof. M. W. Schmidt from the Iowa State University (Ames, Iowa, USA) who placed at his disposal a Fortran codes of the GAMESS program for ab initio quantum chemical calculations.	uk_UA
dc.language.iso	en	uk_UA
dc.publisher	Інститут хімії поверхні ім. О.О. Чуйка НАН України	uk_UA
dc.relation.ispartof	Поверхность
dc.subject	Surface properties of inorganic materials	uk_UA
dc.title	Stabilizing small particles of lithium hydroxide with adsorbed water molecules: a quantum chemical study	uk_UA
dc.type	Article	uk_UA
dc.status	published earlier	uk_UA