Hydrogen bonding in protonated water clusters: An atoms-in-molecules perspective

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dc.contributor.authorSathyamurthy, N.
dc.date.accessioned2013-04-26T07:16:22Z
dc.date.available2013-04-26T07:16:22Z
dc.date.issued2007
dc.descriptionOnly IISERM authors are available in the record.
dc.description.abstractThis article highlights the results of a detailed study of hydrogen bonding in the first and the second solvation shells of Eigen (H3O +) and Zundel (H5O2+) cations solvated by water in a stepwise manner. It is evident from the results that an electron density analysis clearly distinguishes the first and the second solvation shell and helps in quantifying the strength of hydrogen bonding in these clusters.en_US
dc.identifier.citationJournal of Physical Chemistry A, 111 (51), pp. 13287-13290.en
dc.identifier.urihttp://pubs.acs.org/doi/abs/10.1021/jp0775909en_US
dc.language.isoenen_US
dc.publisherAmerican Chemical Societyen_US
dc.subjectCarrier concentrationen_US
dc.subjectHydrogen bondsen_US
dc.subjectMolecular structureen_US
dc.subjectProtonated water clustersen_US
dc.subjectProtonationen_US
dc.subjectWateren_US
dc.subjectSolvation shellsen_US
dc.subjectSolvationen_US
dc.titleHydrogen bonding in protonated water clusters: An atoms-in-molecules perspectiveen_US
dc.typeThesisen_US

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