DC Field | Value | Language |
---|---|---|
dc.contributor.author | Odde, S | - |
dc.contributor.author | Mhin, BJ | - |
dc.contributor.author | Lee, HM | - |
dc.contributor.author | Kim, KS | - |
dc.date.accessioned | 2015-06-25T02:20:55Z | - |
dc.date.available | 2015-06-25T02:20:55Z | - |
dc.date.created | 2009-02-28 | - |
dc.date.issued | 2004-12-08 | - |
dc.identifier.issn | 0021-9606 | - |
dc.identifier.other | 2015-OAK-0000004707 | en_US |
dc.identifier.uri | https://oasis.postech.ac.kr/handle/2014.oak/10790 | - |
dc.description.abstract | The structures of electron-bound and neutral clusters of HF(H2O)n (n=1-3) were optimized at the level of second-order Moller-Plesset perturbation theory (MP2). Then, the energies were studied using the coupled cluster singles, doubles, and perturbative triples correction [CCSD(T)] method. The vertical detachment energies of the electron-bound clusters for n=1-3 are 60, 180, and similar to300 meV, respectively. In the case of the n=3, two structures are competing energetically. The electron-bound clusters for n=1 and 2 are 1.5 and 1.8 kcal/mol more stable than the neutral, while that for n=3 is 0.6-0.9 kcal/mol less stable. The excess electron is stabilized in the surface-bound state of the dipole oriented structures of the hydrated acid clusters. Vibrational spectra of the electron-bound clusters are discussed. (C) 2004 American Institute of Physics. | - |
dc.description.statementofresponsibility | open | en_US |
dc.language | English | - |
dc.publisher | AMER INST PHYSICS | - |
dc.relation.isPartOf | JOURNAL OF CHEMICAL PHYSICS | - |
dc.rights | BY_NC_ND | en_US |
dc.rights.uri | http://creativecommons.org/licenses/by-nc-nd/2.0/kr | en_US |
dc.title | HF(H2O)(n) clusters with an excess electron: Ab initio study | - |
dc.type | Article | - |
dc.contributor.college | 화학과 | en_US |
dc.identifier.doi | 10.1063/1.1812740 | - |
dc.author.google | Odde, S | en_US |
dc.author.google | Mhin, BJ | en_US |
dc.author.google | Kim, KS | en_US |
dc.author.google | Lee, HM | en_US |
dc.relation.volume | 121 | en_US |
dc.relation.issue | 22 | en_US |
dc.relation.startpage | 11083 | en_US |
dc.relation.lastpage | 11087 | en_US |
dc.contributor.id | 10051563 | en_US |
dc.relation.journal | JOURNAL OF CHEMICAL PHYSICS | en_US |
dc.relation.index | SCI급, SCOPUS 등재논문 | en_US |
dc.relation.sci | SCI | en_US |
dc.collections.name | Journal Papers | en_US |
dc.type.rims | ART | - |
dc.identifier.bibliographicCitation | JOURNAL OF CHEMICAL PHYSICS, v.121, no.22, pp.11083 - 11087 | - |
dc.identifier.wosid | 000225440000027 | - |
dc.date.tcdate | 2019-01-01 | - |
dc.citation.endPage | 11087 | - |
dc.citation.number | 22 | - |
dc.citation.startPage | 11083 | - |
dc.citation.title | JOURNAL OF CHEMICAL PHYSICS | - |
dc.citation.volume | 121 | - |
dc.contributor.affiliatedAuthor | Kim, KS | - |
dc.identifier.scopusid | 2-s2.0-11144289719 | - |
dc.description.journalClass | 1 | - |
dc.description.journalClass | 1 | - |
dc.description.wostc | 16 | - |
dc.description.scptc | 16 | * |
dc.date.scptcdate | 2018-10-274 | * |
dc.type.docType | Article | - |
dc.subject.keywordPlus | PHOTOELECTRON-SPECTROSCOPY | - |
dc.subject.keywordPlus | WATER CLUSTERS | - |
dc.subject.keywordPlus | VIBRATIONAL-SPECTRA | - |
dc.subject.keywordPlus | DETACHMENT ENERGY | - |
dc.subject.keywordPlus | ANION | - |
dc.subject.keywordPlus | DISSOCIATION | - |
dc.subject.keywordPlus | ATTACHMENT | - |
dc.subject.keywordPlus | ENERGETICS | - |
dc.subject.keywordPlus | SYSTEMS | - |
dc.subject.keywordPlus | DIMER | - |
dc.relation.journalWebOfScienceCategory | Chemistry, Physical | - |
dc.relation.journalWebOfScienceCategory | Physics, Atomic, Molecular & Chemical | - |
dc.description.journalRegisteredClass | scie | - |
dc.description.journalRegisteredClass | scopus | - |
dc.relation.journalResearchArea | Chemistry | - |
dc.relation.journalResearchArea | Physics | - |
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