From microhydrogen to bulk hydration of Sr2+ metal ion: DFT, MP2 and molecular dynamics study

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dc.contributor.authorBoda, A.
dc.contributor.authorDe, S.
dc.contributor.authorAli, S. M.
dc.contributor.authorTulishetti, S.
dc.contributor.authorKhan, S.
dc.contributor.authorSingh, J. K.
dc.date.accessioned2013-03-20T08:49:28Z
dc.date.available2013-03-20T08:49:28Z
dc.date.issued2012
dc.description.divisionChEDen
dc.format.extent4283 bytes
dc.format.mimetypetext/html
dc.identifier.sourceJournal of Molecular Liquids, 2012. Vol. 172: pp. 110-118en
dc.identifier.urihttp://hdl.handle.net/123456789/7101
dc.language.isoenen
dc.subjectMicrohydrationen
dc.subjectStrontiumen
dc.subjectDFTen
dc.subjectMP2en
dc.subjectMDen
dc.subjectEXAFSen
dc.titleFrom microhydrogen to bulk hydration of Sr2+ metal ion: DFT, MP2 and molecular dynamics studyen
dc.typeArticleen

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