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Croatica Chemica Acta, Vol. 44 No. 3, 1972.

Original scientific paper

Graph Theory and Molecular Orbitals. II

D. Cvetković ; Faculty of Electrical Engineering, University of Belgrade, P. 0. B. 816, 11001 Belgrade, Serbia, Yugoslavia
I. Gutman ; Institute »Ruder Boskovic«, P. 0. B. 1016, 41001 Zagreb, Croatia, Yugoslavia
N. Trinajstić ; Institute »Ruder Boskovic«, P. 0. B. 1016, 41001 Zagreb, Croatia, Yugoslavia

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Abstract

The total n-electron energy and chemical stability of conjugated
hydrocarbons are discussed using the graph theoretical approach.
A number of original theorems are presented and their
relation with HMO theory is given. The main conclusion of this
work is that some molecular properties can be obtained in a
simple manner by inspection of the molecular topology.

Keywords

Hrčak ID:

197211

URI

https://hrcak.srce.hr/197211

Publication date:

10.11.1972.

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