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On Enumeration of Kekule Structures for Benzenoid Tori
http://hdl.handle.net/10083/841
http://hdl.handle.net/10083/8414630029f-0762-4e10-b5f9-27954b3ffb5c
名前 / ファイル | ライセンス | アクション |
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KJ00004470832.pdf (1.0 MB)
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Item type | 紀要論文 / Departmental Bulletin Paper(1) | |||||
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公開日 | 2007-04-23 | |||||
タイトル | ||||||
タイトル | On Enumeration of Kekule Structures for Benzenoid Tori | |||||
言語 | ||||||
言語 | eng | |||||
資源タイプ | ||||||
資源 | http://purl.org/coar/resource_type/c_6501 | |||||
タイプ | departmental bulletin paper | |||||
著者 |
Randic, Milan
× Randic, Milan× Tsukano, Yoko× Hosoya, Haruo |
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著者(ヨミ) | ||||||
識別子 | 70575 | |||||
識別子Scheme | WEKO | |||||
姓名 | ツカノ, ヨウコ | |||||
著者(ヨミ) | ||||||
識別子 | 70576 | |||||
識別子Scheme | WEKO | |||||
姓名 | ホソヤ, ハルオ | |||||
内容記述 | ||||||
内容記述タイプ | Other | |||||
内容記述 | Hypothetical benzenoid tori serve as models for estimating the properties of graphite because their electronic states are found rapidly to converge to that of graphite. We present an algorithm for enumeration of Kekule structures of these benzenoid tori. The basis for our algorithm is consideration of those CC connecting lines which convert a 2-dimensional benzenoid into a torus. By successive selection of such "connecting" lines as CC single and CC double bonds we effectively transform a benzenoid torus into a collection of planar benzenoids, the Kekule structures of which are thus enumerated. The number of benzenoids and rump benzenoids derived by excision of "connecting" bonds and adjacent bonds is governed by the binomial distribution. The approach is illustrated on benzene and coronene tori. The results for a few other simple benzenoid torus networks are presented including also the result for a torus based on circamcoronene with over 15,000 Kekule valence structures. | |||||
書誌情報 |
お茶の水女子大學自然科學報告 巻 45, 号 2, p. 101-119, 発行日 1994-12-15 |
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ISSN | ||||||
収録物識別子タイプ | ISSN | |||||
収録物識別子 | 00298190 | |||||
書誌レコードID | ||||||
収録物識別子タイプ | NCID | |||||
収録物識別子 | AN00033958 | |||||
フォーマット | ||||||
内容記述タイプ | Other | |||||
内容記述 | application/pdf | |||||
形態 | ||||||
1044397 bytes | ||||||
日本十進分類法 | ||||||
主題Scheme | NDC | |||||
主題 | 400 | |||||
出版者 | ||||||
出版者 | お茶の水女子大学 | |||||
資源タイプ | ||||||
内容記述タイプ | Other | |||||
内容記述 | 紀要論文 | |||||
資源タイプ・ローカル | ||||||
紀要論文 | ||||||
資源タイプ・NII | ||||||
Departmental Bulletin Paper | ||||||
資源タイプ・DCMI | ||||||
text | ||||||
資源タイプ・ローカル表示コード | ||||||
03 | ||||||
所属 | ||||||
Department of Information Sciences, Ochanomizu University | ||||||
所属 | ||||||
Department of Chemistry, Ochanomizu University | ||||||
所属 | ||||||
Department of Information Sciences, Ochanomizu University |