Stability of the Pentagon Structure of Water Cluster
| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | B. J. Yoon | ko |
| dc.contributor.author | Mu-Shik Jhon | ko |
| dc.date.accessioned | 2013-02-25T17:58:37Z | - |
| dc.date.available | 2013-02-25T17:58:37Z | - |
| dc.date.created | 2012-02-06 | - |
| dc.date.created | 2012-02-06 | - |
| dc.date.issued | 1991 | - |
| dc.identifier.citation | BULLETIN OF THE KOREAN CHEMICAL SOCIETY, v.12, no.1, pp.67 - 70 | - |
| dc.identifier.issn | 0253-2964 | - |
| dc.identifier.uri | http://hdl.handle.net/10203/64131 | - |
| dc.description.abstract | A hexagonal hexamer of water cluster is optimized by ab initio method using the 4-31G basis set. At this geometry the nonadditive many-body interactions are calculated. The ab initio calculation with large basis set [T. H. Dunning, J. Chem. Phys., 53, 2823 (1970); 54, 3958 (1971)] shows that a pentagonal unit is rather stable among several kinds of clustering units of water molecules. | - |
| dc.language | English | - |
| dc.publisher | Korean Chemical Soc | - |
| dc.subject | LIQUID WATER | - |
| dc.subject | MOLECULAR-DYNAMICS | - |
| dc.subject | HYDROGEN-BOND | - |
| dc.subject | SIMULATION | - |
| dc.subject | ENERGETICS | - |
| dc.subject | GEOMETRIES | - |
| dc.subject | POTENTIALS | - |
| dc.subject | POLYMERS | - |
| dc.subject | ENERGIES | - |
| dc.subject | ABINITIO | - |
| dc.title | Stability of the Pentagon Structure of Water Cluster | - |
| dc.type | Article | - |
| dc.identifier.wosid | A1991FA54600019 | - |
| dc.type.rims | ART | - |
| dc.citation.volume | 12 | - |
| dc.citation.issue | 1 | - |
| dc.citation.beginningpage | 67 | - |
| dc.citation.endingpage | 70 | - |
| dc.citation.publicationname | BULLETIN OF THE KOREAN CHEMICAL SOCIETY | - |
| dc.contributor.nonIdAuthor | B. J. Yoon | - |
| dc.type.journalArticle | Article | - |
| dc.subject.keywordPlus | LIQUID WATER | - |
| dc.subject.keywordPlus | MOLECULAR-DYNAMICS | - |
| dc.subject.keywordPlus | HYDROGEN-BOND | - |
| dc.subject.keywordPlus | SIMULATION | - |
| dc.subject.keywordPlus | ENERGETICS | - |
| dc.subject.keywordPlus | GEOMETRIES | - |
| dc.subject.keywordPlus | POTENTIALS | - |
| dc.subject.keywordPlus | POLYMERS | - |
| dc.subject.keywordPlus | ENERGIES | - |
| dc.subject.keywordPlus | ABINITIO | - |
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