TOPOLOGY AND STABILITY OF TRIVALENT POLYHEDRAL CLUSTERS

被引：10

作者：

JIANG, YS ^{[1
]}

SHAO, YH ^{[1
]}

KIRBY, EC ^{[1
]}

机构：

[1] RESOURCE USE INST,PITLOCHRY PH16 5DS,PERTH,SCOTLAND

来源：

FULLERENE SCIENCE AND TECHNOLOGY | 1994年 / 2卷 / 04期

关键词：

D O I：

10.1080/15363839408010483

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：

An algorithm to generate the molecular graphs of the trivalent clusters is presented. All the polyhedral trivalent cages with 4-16 vertices are enumerated, with particular attention being given to their symmetry, spectra and stability. The relative stability of isomers is not decided solely by their symmetry. A new kind of spectral phenomenon is reported. This is the occurrence of graphs having the same HOMO-LUMO gap, the same E pi and the same even-order moments. We refer to it as 'pseudo-isospectrality'.

引用

页码：481 / 497

页数：17

共 15 条

[1]

[Anonymous], 2018, CHEM GRAPH THEORY

[2]

BALONE P, 1990, PHYS REV B, V42, P3201

[3]

Harary F., 1994, GRAPH THEORY, P11, DOI [DOI 10.21236/AD0705364, 10.1201/9780429493768, DOI 10.1201/9780429493768]

[4]

HOSOYA H, 1992, S P YOKOHAMA

[5]

KIRBY EC, 1993, CROAT CHEM ACTA, V66, P13

[6] A GENERAL-METHOD FOR FINDING PRINCIPAL RESONANCE STRUCTURES FOR CONJUGATED SYSTEMS BY SEMI-RANDOM SEARCHING OF AN ADJACENCY MATRIX [J].

KIRBY, EC .

COMPUTERS & CHEMISTRY, 1985, 9 (02) :155-163

[7] TOROIDAL POLYHEXES [J].

KIRBY, EC ;

MALLION, RB ;

POLLAK, P .

JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS, 1993, 89 (12) :1945-1953

[8]

KIRBY EC, 1993, UNPUB

[9] GENERATION OF CARBON-CAGE POLYHEDRA [J].

LIU, X ;

KLEIN, DJ ;

SCHMALZ, TG ;

SEITZ, WA .

JOURNAL OF COMPUTATIONAL CHEMISTRY, 1991, 12 (10) :1252-1259

[10] THE GRAPH ISOMORPHISM-PROBLEM [J].

LIU, X ;

KLEIN, DJ .

JOURNAL OF COMPUTATIONAL CHEMISTRY, 1991, 12 (10) :1243-1251

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