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Cited 7 time in webofscience Cited 7 time in scopus
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dc.contributor.authorWillow, SYko
dc.contributor.authorN. Jiten Singhko
dc.contributor.authorKim, KSko
dc.date.available2016-03-31T09:19:30Z-
dc.date.created2012-01-09-
dc.date.issued2011-10-
dc.identifier.citationJOURNAL OF CHEMICAL THEORY AND COMPUTATION, v.7, no.11, pp.3461 - 3465-
dc.identifier.issn1549-9618-
dc.identifier.other2011-OAK-0000024449-
dc.identifier.urihttps://oasis.postech.ac.kr/handle/2014.oak/17010-
dc.description.statementofresponsibilityX-
dc.languageEnglish-
dc.publisherAMER CHEMICAL SOC-
dc.subjectELECTRONIC-STRUCTURE CALCULATIONS-
dc.subjectDENSITY-FUNCTIONAL THEORY-
dc.subjectAB-INITIO-
dc.subjectBASIS-SETS-
dc.subjectSPECTROSCOPIC OBSERVATION-
dc.subjectROTATIONAL-DYNAMICS-
dc.subjectINFRARED-SPECTRUM-
dc.subjectCLUSTERS (H2O)(N)-
dc.subjectEXCITED-STATES-
dc.subjectAMMONIUM ION-
dc.titleNH(4)(+) Resides Inside the Water 20-mer Cage As Opposed to H(3)O(+), Which Resides on the Surface: A First Principles Molecular Dynamics Simulation Study-
dc.typeArticle-
dc.contributor.college화학과-
dc.identifier.doi10.1021/CT200486C-
dc.author.googleWillow, SY-
dc.author.googleSingh, NJ-
dc.author.googleKim, KS-
dc.relation.volume7-
dc.relation.issue11-
dc.relation.startpage3461-
dc.relation.lastpage3465-
dc.contributor.id10051563-
dc.publisher.locationUS-
dc.relation.journalJOURNAL OF CHEMICAL THEORY AND COMPUTATION-
dc.relation.indexSCI급, SCOPUS 등재논문-
dc.relation.sciSCI-
dc.collections.nameJournal Papers-
dc.type.rimsART-
dc.contributor.nonIdAuthorWillow, SY-
dc.contributor.nonIdAuthorN. Jiten Singh-
dc.identifier.wosid000296597300001-
dc.date.tcdate2019-01-01-
dc.citation.endPage3465-
dc.citation.number11-
dc.citation.startPage3461-
dc.citation.titleJOURNAL OF CHEMICAL THEORY AND COMPUTATION-
dc.citation.volume7-
dc.identifier.scopusid2-s2.0-80755155896-
dc.description.journalClass1-
dc.description.wostc5-
dc.description.scptc5*
dc.date.scptcdate2018-05-121*

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