| プログラム番号 | P112 |
|---|---|
| プロクラム名 | GSW(Version 1.0) |
| 著者 | Hitoshi Ueno |
| 所属と連絡先 | Eiji Osawa : Department of Knowledge-based Information Engineering, Toyohashi University of Technology, Toyohashi, Aichi 441, Japan TEL : +81-532-6881, FAX : +81-532-48-5588 |
| 目的 | This major function of Program GSW is automatic search of pathways in the fullerene rearrangemet. The mechanism involves at present generalized Stone-Wales rearrangement and C2-elimination/addition. Due to explosive increase in the number of pathwasys, severe constrains must be imposed on the number of steps, type and maximum allowed number of component rings, and the maximum allowed number of abutted pentagons. |
| 参考文献 | E. Osawa, H. Ueno, manuscript in preparation. E.Osawa, K. honda, Fullereen Sci. Technol.,1996, 4[5], 939-961, K. Honda, E. Osawa, Z. Slanina, T. Matsumoto, Fulleren Sci. Technol., 1996, 4[5], 819-834. E. Osawa, K. Honda, in 'Proceeding of the Symposium on Recent Advances in the Chemistry and Physics of Fullerenes and related Materials'., Vol.2, R. S. Ruoff, M. K. Kadish(Eds.), Electrochemical Society : Penningyon, NJ, 1995, Proceedings Volume 95-10, P176-1287. |
| 使用言語 | C++ |
| プログラムの大きさ | |
| ハードウェア | Any UNIX system |
| プログラム性能上の制限 | |
| 製作責任者 | Eiji Osawa : Department of Knowledge-based Information Engineering, Toyohashi University of Technology, Toyohashi, Aichi 441, Japan TEL : +81-532-6881, FAX : +81-532-48-5588 |
| 媒体 | フロッピーディスク |
| 頒布価格 | 無 料 |
| 使用条件 | No particular restrictions Fellow the general rule orf JCPE. We appreciate appropriate citationwhen results are published in scientific journals. |