THE NUMBER OF SPANNING-TREES IN BUCKMINSTERFULLERENE

被引:28
作者
BROWN, TJN
MALLION, RB
POLLAK, P
DECASTRO, BRM
GOMES, JANF
机构
[1] KINGS SCH, KENT CT1 2ES, ENGLAND
[2] UNIV PORTO, FAC CIENCIAS, DEPT QUIM, P-4000 OPORTO, PORTUGAL
关键词
D O I
10.1002/jcc.540120909
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
The theorem of Gutman et al. (1983) is applied to calculate the number of spanning trees in the carbon-carbon connectivity-network of the recently diagnosed C60-cluster buckminsterfullerene. This "complexity" turns out to be approximately 3.75 x 10(20) and it is found necessary to invoke the device of modulo arithmetic and the "Chinese Remainder Theorem" in order to evaluate it precisely on a small computer. The exact spanning-tree count for buckminsterfullerene is 375 291 866 372 898 816 000, or, 2(25) x 3(4) x 5(3) x 11(5) x 19(3). A "ring-current" calculation by the method of McWeeny may be based on any desired one of this vast number of spanning trees.
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收藏
页码:1118 / 1124
页数:7
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