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College of Natural Sciences(자연과학대학)Dept. of Chemistry(화학과)CH-Journal Papers(저널논문)

Structures and energetics of Gly-(H2O)(5): Thermodynamic and kinetic stabilities

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dc.contributor.authorKim, Ju-Youngko
dc.contributor.authorIm, Sukko
dc.contributor.authorKim, Bongsooko
dc.contributor.authorDesfrancois, C.ko
dc.contributor.authorLee, Sungyulko
dc.date.accessioned2013-03-06T22:59:10Z-
dc.date.available2013-03-06T22:59:10Z-
dc.date.created2012-02-06-
dc.date.created2012-02-06-
dc.date.issued2008-01-
dc.identifier.citationCHEMICAL PHYSICS LETTERS, v.451, no.4-6, pp.198 - 203-
dc.identifier.issn0009-2614-
dc.identifier.urihttp://hdl.handle.net/10203/88761-
dc.description.abstractCalculations are presented for glycine-(H2O)(5) clusters, with glycine in canonical or zwitterionic form. The energies of zwitterionic conformers are calculated to be higher than the canonical ones by 2-4 kcal/mol. The dynamic pathways of canonical <--> zwitterion isomerization are presented, along with the magnitude of the activation barriers. We find that some of the zwitterionic glycine-(H2O)(5) clusters are kinetically stable for experimental observation due to considerable barriers (similar to 9 kcal/mol). (C) 2007 Elsevier B.V. All rights reserved.-
dc.languageEnglish-
dc.publisherELSEVIER SCIENCE BV-
dc.subjectION-DIP SPECTROSCOPY-
dc.subjectGAS-PHASE-
dc.subjectCONFORMATIONAL LANDSCAPES-
dc.subjectGLYCINE ZWITTERION-
dc.subjectAQUEOUS-SOLUTION-
dc.subjectWATER-MOLECULES-
dc.subjectBOUND ANIONS-
dc.subjectAMINO-ACIDS-
dc.subjectCLUSTERS-
dc.subjectSOLVATION-
dc.titleStructures and energetics of Gly-(H2O)(5): Thermodynamic and kinetic stabilities-
dc.typeArticle-
dc.identifier.wosid000252839600005-
dc.identifier.scopusid2-s2.0-38049068141-
dc.type.rimsART-
dc.citation.volume451-
dc.citation.issue4-6-
dc.citation.beginningpage198-
dc.citation.endingpage203-
dc.citation.publicationnameCHEMICAL PHYSICS LETTERS-
dc.identifier.doi10.1016/j.cplett.2007.12.016-
dc.contributor.localauthorKim, Bongsoo-
dc.contributor.nonIdAuthorKim, Ju-Young-
dc.contributor.nonIdAuthorIm, Suk-
dc.contributor.nonIdAuthorDesfrancois, C.-
dc.contributor.nonIdAuthorLee, Sungyul-
dc.type.journalArticleArticle-
dc.subject.keywordPlusION-DIP SPECTROSCOPY-
dc.subject.keywordPlusGAS-PHASE-
dc.subject.keywordPlusCONFORMATIONAL LANDSCAPES-
dc.subject.keywordPlusGLYCINE ZWITTERION-
dc.subject.keywordPlusAQUEOUS-SOLUTION-
dc.subject.keywordPlusWATER-MOLECULES-
dc.subject.keywordPlusBOUND ANIONS-
dc.subject.keywordPlusAMINO-ACIDS-
dc.subject.keywordPlusCLUSTERS-
dc.subject.keywordPlusSOLVATION-
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