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| ファイル | 記述 | サイズ | フォーマット | |
|---|---|---|---|---|
| 1.4771837.pdf | 220.19 kB | Adobe PDF | 見る/開く |
完全メタデータレコード
| DCフィールド | 値 | 言語 |
|---|---|---|
| dc.contributor.author | Sato, Hirofumi | en |
| dc.contributor.author | Kikumori, Chisa | en |
| dc.contributor.author | Sakaki, Shigeyoshi | en |
| dc.date.accessioned | 2014-06-13T02:40:21Z | - |
| dc.date.available | 2014-06-13T02:40:21Z | - |
| dc.date.issued | 2012-12-10 | - |
| dc.identifier.isbn | 9780735411227 | - |
| dc.identifier.issn | 0094-243X | - |
| dc.identifier.uri | http://hdl.handle.net/2433/187989 | - |
| dc.description | "International Conference of Computational Methods in Sciences and Engineering 2009(ICCMSE 2009)"; Conference date: 29 September–4 October 2009; Location: Rhodes, Greece | en |
| dc.description.abstract | Coronene consists of seven peri-fused benzene rings, regarded as a small fragment of graphene. In the present contribution, the electronic structure as well as solvation structure of coronene and its transition metal complex were studied using density functional theory combined with a statistical mechanics for molecular liquid. | en |
| dc.format.mimetype | application/pdf | - |
| dc.language.iso | eng | - |
| dc.publisher | AIP Publishing | en |
| dc.rights | © 2012 American Institute of Physics. This article may be downloaded for personal use only. Any other use requires prior permission of the author and the American Institute of Physics. | en |
| dc.subject | coronene | en |
| dc.subject | transition metal | en |
| dc.subject | RISM-SCF | en |
| dc.subject | electronic structure | en |
| dc.subject | solvation structure | en |
| dc.title | Coronene-Transition Metal Complex: View from Quantum Chemistry and Statistical Mechanics | en |
| dc.type | journal article | - |
| dc.type.niitype | Journal Article | - |
| dc.identifier.jtitle | AIP Conference Proceedings: International Conference of Computational Methods in Sciences and Engineering 2009(ICCMSE 2009) | en |
| dc.identifier.volume | 1504 | - |
| dc.identifier.spage | 887 | - |
| dc.identifier.epage | 890 | - |
| dc.relation.doi | 10.1063/1.4771837 | - |
| dc.textversion | publisher | - |
| dcterms.accessRights | open access | - |
| 出現コレクション: | 学術雑誌掲載論文等 | |
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