Catacondensed hexagonal systems with smaller numbers of Kekule structures

Jitender S. Deogun; Xiaofeng Guo; Wandi Wei; Fuji Zhang

doi:10.1016/S0166-1280(03)00602-X

Catacondensed hexagonal systems with smaller numbers of Kekule structures

Jitender S. Deogun, Xiaofeng Guo, Wandi Wei, Fuji Zhang

Computer Science and Engineering

Research output: Contribution to journal › Article › peer-review

12 Scopus citations

Abstract

In this paper, we investigate the catacondensed hexagonal systems with smaller numbers of Kekule structures. The unbranched catacondensed hexagonal systems with one kink are ordered. The unbranched catacondensed hexagonal system with two kinks and the branched catacondensed hexagonal system with one branched hexagon, which have the smallest and largest numbers of Kekule structures, are determined. Furthermore, based on the above results, the catacondensed hexagonal systems with the first up to the fourth smallest numbers of Kekule structures are determined.

Original language	English (US)
Pages (from-to)	101-108
Number of pages	8
Journal	Journal of Molecular Structure: THEOCHEM
Volume	639
Issue number	1-3
DOIs	https://doi.org/10.1016/S0166-1280(03)00602-X
State	Published - Nov 3 2003

Keywords

Benzenoid hydrocarbons
Hexagonal system
Kekule structure

ASJC Scopus subject areas

Biochemistry
Condensed Matter Physics
Physical and Theoretical Chemistry

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10.1016/S0166-1280(03)00602-X

Cite this

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title = "Catacondensed hexagonal systems with smaller numbers of Kekule structures",

abstract = "In this paper, we investigate the catacondensed hexagonal systems with smaller numbers of Kekule structures. The unbranched catacondensed hexagonal systems with one kink are ordered. The unbranched catacondensed hexagonal system with two kinks and the branched catacondensed hexagonal system with one branched hexagon, which have the smallest and largest numbers of Kekule structures, are determined. Furthermore, based on the above results, the catacondensed hexagonal systems with the first up to the fourth smallest numbers of Kekule structures are determined.",

keywords = "Benzenoid hydrocarbons, Hexagonal system, Kekule structure",

author = "Deogun, {Jitender S.} and Xiaofeng Guo and Wandi Wei and Fuji Zhang",

note = "Funding Information: This research was supported in part by NSF Digital Government Grant No. EIA-0091530 and NSF EPSCOR, Grant No. EPS-0091900, and by NSFC. ",

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T1 - Catacondensed hexagonal systems with smaller numbers of Kekule structures

AU - Deogun, Jitender S.

AU - Guo, Xiaofeng

AU - Wei, Wandi

AU - Zhang, Fuji

N1 - Funding Information: This research was supported in part by NSF Digital Government Grant No. EIA-0091530 and NSF EPSCOR, Grant No. EPS-0091900, and by NSFC.

PY - 2003/11/3

Y1 - 2003/11/3

N2 - In this paper, we investigate the catacondensed hexagonal systems with smaller numbers of Kekule structures. The unbranched catacondensed hexagonal systems with one kink are ordered. The unbranched catacondensed hexagonal system with two kinks and the branched catacondensed hexagonal system with one branched hexagon, which have the smallest and largest numbers of Kekule structures, are determined. Furthermore, based on the above results, the catacondensed hexagonal systems with the first up to the fourth smallest numbers of Kekule structures are determined.

AB - In this paper, we investigate the catacondensed hexagonal systems with smaller numbers of Kekule structures. The unbranched catacondensed hexagonal systems with one kink are ordered. The unbranched catacondensed hexagonal system with two kinks and the branched catacondensed hexagonal system with one branched hexagon, which have the smallest and largest numbers of Kekule structures, are determined. Furthermore, based on the above results, the catacondensed hexagonal systems with the first up to the fourth smallest numbers of Kekule structures are determined.

KW - Benzenoid hydrocarbons

KW - Hexagonal system

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Catacondensed hexagonal systems with smaller numbers of Kekule structures

Abstract

Keywords

ASJC Scopus subject areas

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