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THE BARRIER TO INTERCONVERSION OF CYCLOHEXENE
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| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Laane, Jaan | - |
| dc.contributor.author | Choo, Jaebum | - |
| dc.date.accessioned | 2021-06-18T14:45:35Z | - |
| dc.date.available | 2021-06-18T14:45:35Z | - |
| dc.date.issued | 1994-05 | - |
| dc.identifier.issn | 0002-7863 | - |
| dc.identifier.issn | 1520-5126 | - |
| dc.identifier.uri | https://scholarworks.bwise.kr/cau/handle/2019.sw.cau/47492 | - |
| dc.description.abstract | The interconversion process between twisted conformations of cyclohexene via a bent intermediate form is reexamined utilizing previously published far-infrared data along with molecular mechanics (MM3) calculations. This process is treated as a periodic one-dimensional hindered pseudorotation, and it is demonstrated that the anharmonicity in the vibrational data is compatible with a barrier to interconversion in the 8.4-12.1-kcal/mol range. This range is higher than the MM3 value of 7.22 kcal/mol or published values from ab initio calculations. | - |
| dc.format.extent | 3 | - |
| dc.language | 영어 | - |
| dc.language.iso | ENG | - |
| dc.publisher | AMER CHEMICAL SOC | - |
| dc.title | THE BARRIER TO INTERCONVERSION OF CYCLOHEXENE | - |
| dc.type | Article | - |
| dc.identifier.doi | 10.1021/ja00088a026 | - |
| dc.identifier.bibliographicCitation | JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, v.116, no.9, pp 3889 - 3891 | - |
| dc.description.isOpenAccess | N | - |
| dc.identifier.wosid | A1994NJ94600026 | - |
| dc.identifier.scopusid | 2-s2.0-84950546370 | - |
| dc.citation.endPage | 3891 | - |
| dc.citation.number | 9 | - |
| dc.citation.startPage | 3889 | - |
| dc.citation.title | JOURNAL OF THE AMERICAN CHEMICAL SOCIETY | - |
| dc.citation.volume | 116 | - |
| dc.type.docType | Article | - |
| dc.publisher.location | 미국 | - |
| dc.subject.keywordPlus | POTENTIAL-ENERGY SURFACE | - |
| dc.subject.keywordPlus | FAR-INFRARED SPECTRA | - |
| dc.subject.keywordPlus | PSEUDOROTATION | - |
| dc.subject.keywordPlus | ISOTOPOMERS | - |
| dc.relation.journalResearchArea | Chemistry | - |
| dc.relation.journalWebOfScienceCategory | Chemistry, Multidisciplinary | - |
| dc.description.journalRegisteredClass | scie | - |
| dc.description.journalRegisteredClass | scopus | - |
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