Theoretical study of (XYO...H...OXY)+ (X, Y=H, F, C1) systems. From the asymmetrical to the symmetrical (O...H...O)+ hydrogen bonds

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dc.contributor.authorChandra, Asit K
dc.contributor.authorZeegers-Huyskens, Therese
dc.date.accessioned2010-03-30T11:38:15Z
dc.date.available2010-03-30T11:38:15Z
dc.date.issued2010-03-30T11:38:15Z
dc.document.departmentDepartment of Chemistryen_US
dc.document.sourceJournal of Molecular Structureen_US
dc.document.yearofpublication2004en_US
dc.identifier.urihttps://dspace.nehu.ac.in/handle/1/1472
dc.journal.pagerange75-83en_US
dc.journal.volume706en_US
dc.language.isoenen_US
dc.subjectB3Lyp/6-311++G(2d,p) calculationsen_US
dc.subjectSymmetry of (O...H...O)+ hydrogen bondsen_US
dc.subjectOptimized geometriesen_US
dc.subjectHarmonic vibrational frequenciesen_US
dc.subjectBinding energiesen_US
dc.subjectNatural chargesen_US
dc.subjectCharge transfersen_US
dc.submitter.addressNEHU, SHILLONG 793022en_US
dc.titleTheoretical study of (XYO...H...OXY)+ (X, Y=H, F, C1) systems. From the asymmetrical to the symmetrical (O...H...O)+ hydrogen bondsen_US
dc.typeArticleen_US
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