DC Field | Value | Language |
---|---|---|
dc.contributor.author | Odde, S | - |
dc.contributor.author | Lee, HM | - |
dc.contributor.author | Kolaski, M | - |
dc.contributor.author | Mhin, BJ | - |
dc.contributor.author | Kim, KS | - |
dc.date.accessioned | 2015-06-25T02:20:57Z | - |
dc.date.available | 2015-06-25T02:20:57Z | - |
dc.date.created | 2009-02-28 | - |
dc.date.issued | 2004-09-08 | - |
dc.identifier.issn | 0021-9606 | - |
dc.identifier.other | 2015-OAK-0000004496 | en_US |
dc.identifier.uri | https://oasis.postech.ac.kr/handle/2014.oak/10791 | - |
dc.description.abstract | Density functional and ab intio calculations are employed in order to understand the base dissociation of rubidium hydroxide by water molecules. The hydrated structures, stabilities, thermodynamic quantities, dissociation energies, infrared spectra, and electronic properties of RbOH(H2O)(n=0-5) are investigated. With the successive addition of water molecules to RbOH, the Rb-OH bond lengthens significantly from 2.45 Angstrom for n=0 to 3.06 Angstrom for n=5. It is interesting to note that four water molecules are needed for the stable dissociation of RbOH (as an almost dissociate conformation) and five water molecules are needed for the complete dissociation without any Rb-OH stretch mode, in contrast to the same group base of CsOH which requires only three water molecules for an almost dissociate conformation and four water molecules for the complete dissociation. (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 | Dissolution of a base (RbOH) by water clusters | - |
dc.type | Article | - |
dc.contributor.college | 화학과 | en_US |
dc.identifier.doi | 10.1063/1.1779573 | - |
dc.author.google | Odde, S | en_US |
dc.author.google | Lee, HM | en_US |
dc.author.google | Kim, KS | en_US |
dc.author.google | Mhin, BJ | en_US |
dc.author.google | Kolaski, M | en_US |
dc.relation.volume | 121 | en_US |
dc.relation.issue | 10 | en_US |
dc.relation.startpage | 4665 | en_US |
dc.relation.lastpage | 4670 | 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.10, pp.4665 - 4670 | - |
dc.identifier.wosid | 000223494500026 | - |
dc.date.tcdate | 2019-01-01 | - |
dc.citation.endPage | 4670 | - |
dc.citation.number | 10 | - |
dc.citation.startPage | 4665 | - |
dc.citation.title | JOURNAL OF CHEMICAL PHYSICS | - |
dc.citation.volume | 121 | - |
dc.contributor.affiliatedAuthor | Kim, KS | - |
dc.identifier.scopusid | 2-s2.0-4544326453 | - |
dc.description.journalClass | 1 | - |
dc.description.journalClass | 1 | - |
dc.description.wostc | 13 | - |
dc.description.scptc | 14 | * |
dc.date.scptcdate | 2018-10-274 | * |
dc.type.docType | Article | - |
dc.subject.keywordPlus | ALKALI HYDROXIDES | - |
dc.subject.keywordPlus | AB-INITIO | - |
dc.subject.keywordPlus | SPECTRA | - |
dc.subject.keywordPlus | DISSOCIATION | - |
dc.subject.keywordPlus | ENERGETICS | - |
dc.subject.keywordPlus | ENERGIES | - |
dc.subject.keywordPlus | CSOH | - |
dc.subject.keywordPlus | GEOMETRIES | - |
dc.subject.keywordPlus | ELECTRON | - |
dc.subject.keywordPlus | SOLVENT | - |
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 | - |
Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.
library@postech.ac.kr Tel: 054-279-2548
Copyrights © by 2017 Pohang University of Science ad Technology All right reserved.