TOROIDAL POLYHEXES

被引:95
作者
KIRBY, EC [1 ]
MALLION, RB [1 ]
POLLAK, P [1 ]
机构
[1] KINGS SCH,CANTERBURY CT1 2ES,ENGLAND
来源
JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS | 1993年 / 89卷 / 12期
关键词
D O I
10.1039/ft9938901945
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
Some features of a boundless network of hexagons embedded on the surface of a torus are discussed. A systematic coding and classification scheme is suggested whereby any toroidal polyhex may be described by a unique string of three integers. This can be used to compile an adjacency matrix and to evaluate the eigen-spectrum by simple methods which are valid for all such structures with fewer than 7200 vertices (3600 hexagons). A general method, valid for all systems, is sketched out. Some eigenvalue regularities are pointed out, including cases of subspectrality. The enumeration of spanning trees and of Kekule structures is discussed, and a Kekule count published by the Galveston Group is confirmed.
引用
收藏
页码:1945 / 1953
页数:9
相关论文
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