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| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | KIM, J | - |
| dc.contributor.author | KIM, KS | - |
| dc.contributor.author | MHIN, BJ | - |
| dc.date.accessioned | 2016-03-31T14:41:23Z | - |
| dc.date.available | 2016-03-31T14:41:23Z | - |
| dc.date.created | 2009-03-20 | - |
| dc.date.issued | 1993-12-31 | - |
| dc.identifier.issn | 0009-2614 | - |
| dc.identifier.other | 1994-OAK-0000008829 | - |
| dc.identifier.uri | https://oasis.postech.ac.kr/handle/2014.oak/22012 | - |
| dc.description.abstract | Thermodynamic energies of hydrated sodium ions predicted by extensive ab initio calculations are in excellent agreement with experiment. The hexaaqua-Na(I) ion shows entropy-driven structures: the primary hydration number is 4 at low temperatures and 5 at near room temperatures in spite of the fact that the coordination number generally decreases with increasing temperature. One semi-free water molecule in the outer shell is responsible for the sudden decrease in the absolute magnitude of the successive entropy change. | - |
| dc.description.statementofresponsibility | X | - |
| dc.language | English | - |
| dc.publisher | ELSEVIER SCIENCE BV | - |
| dc.relation.isPartOf | CHEMICAL PHYSICS LETTERS | - |
| dc.title | ENTROPY-DRIVEN STRUCTURES OF THE HEXAAQUA-SODIUM(I) | - |
| dc.type | Article | - |
| dc.contributor.college | 화학과 | - |
| dc.identifier.doi | 10.1016/0009-2614(93)90099-M | - |
| dc.author.google | KIM, J | - |
| dc.author.google | KIM, KS | - |
| dc.author.google | MHIN, BJ | - |
| dc.relation.volume | 216 | - |
| dc.relation.startpage | 305 | - |
| dc.relation.lastpage | 308 | - |
| dc.contributor.id | 10051563 | - |
| dc.relation.journal | CHEMICAL PHYSICS LETTERS | - |
| dc.relation.index | SCI급, SCOPUS 등재논문 | - |
| dc.relation.sci | SCI | - |
| dc.collections.name | Journal Papers | - |
| dc.type.rims | ART | - |
| dc.identifier.bibliographicCitation | CHEMICAL PHYSICS LETTERS, v.216, no.3-6, pp.305 - 308 | - |
| dc.identifier.wosid | A1993MP57200010 | - |
| dc.citation.endPage | 308 | - |
| dc.citation.number | 3-6 | - |
| dc.citation.startPage | 305 | - |
| dc.citation.title | CHEMICAL PHYSICS LETTERS | - |
| dc.citation.volume | 216 | - |
| dc.contributor.affiliatedAuthor | KIM, KS | - |
| dc.identifier.scopusid | 2-s2.0-43949162892 | - |
| dc.description.journalClass | 1 | - |
| dc.description.journalClass | 1 | - |
| dc.description.wostc | 25 | - |
| dc.type.docType | Article | - |
| dc.subject.keywordPlus | MOLECULAR-DYNAMICS SIMULATIONS | - |
| dc.subject.keywordPlus | POLARIZABLE WATER | - |
| dc.subject.keywordPlus | GAS-PHASE | - |
| dc.subject.keywordPlus | CL IONS | - |
| dc.subject.keywordPlus | NA+ | - |
| dc.subject.keywordPlus | HYDRATION | - |
| dc.subject.keywordPlus | COMPLEXES | - |
| dc.subject.keywordPlus | CLUSTERS | - |
| dc.subject.keywordPlus | ABINITIO | - |
| dc.subject.keywordPlus | ENERGY | - |
| 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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