Ivan GUTMAN, Drazen VIDOVIC and Boris FURTULA (2002) Coulson function and Hosoya index

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Coulson function and Hosoya index

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CONTRIBUTORS:

	Author:	Ivan GUTMAN (b. 1947, d. ----)
	Author:	Drazen VIDOVIC
	Author:	Boris FURTULA

JOURNAL:

Chemical physics letters, 355(3-4), 378 - 382.

YEAR:

2002

PUB TYPE:

Journal Article

SUBJECT(S):

chemistry - physical

DISCIPLINE:

Chemistry

HTTP:

http://lori.academicdirect.org/cites/17.pdf

LANGUAGE:

English

PUB ID:

103-436-047 (Last edited on 2007/07/08 05:28:11 GMT-6)

SPONSOR(S):

ABSTRACT:
Let G be a molecular graph, n the number of its vertices and φ(G,x) its characteristic polynomial. Already in 1940 Coulson expressed the total π- electron energy of conjugated unsaturated molecules in terms of the function F(x)=n-ixφ′(G,ix)/φ(G,ix). Recently, the Coulson function F(x) found applications also in modeling the structure-dependence of physicochemical properties of alkanes. We now analyze the Coulson function and establish some of its hitherto unnoticed features, in particular its relations with the Hosoya index.

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