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

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dc.contributor.authorGrebenyuk, A.G.
dc.date.accessioned2017-11-20T18:33:17Z
dc.date.available2017-11-20T18:33:17Z
dc.date.issued2002
dc.description.abstractQuantum 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.sponsorshipThe 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.identifier.citationStabilizing 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.issnXXXX-0106
dc.identifier.urihttps://nasplib.isofts.kiev.ua/handle/123456789/126354
dc.language.isoenuk_UA
dc.publisherІнститут хімії поверхні ім. О.О. Чуйка НАН Україниuk_UA
dc.relation.ispartofПоверхность
dc.statuspublished earlieruk_UA
dc.subjectSurface properties of inorganic materialsuk_UA
dc.titleStabilizing small particles of lithium hydroxide with adsorbed water molecules: a quantum chemical studyuk_UA
dc.typeArticleuk_UA

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Поверхность, 2002, вип. 7-8