Croatica Chemica Acta, Vol. 51 No. 4, 1978.
Short communication, Note
Graph Theory and Molecular Orbitals. XX. Local and Long Range Contributions to Bond Order
I. Gutman
; Department of Chemistry, Faculty of Science, University of Kragujevac, 34000 Kragujevac, P.O.B. 60, Serbia, Yugoslavia
S. Bosanac
; »Ruder Boskovic« Institute, P.O.B. 1016, 41001 Zagreb, Croatia, Yugoslavia
N. Trinajstić
; Ruder Boskovic« Institute, P.O.B. 1016, 41001 Zagreb, Croatia, Yugoslavia
Abstract
Local and longe range contributions to bond order are calculated
for several benzenoid and non-benzenoid alternant molecules.
The local effects are found to be linearly correlated with the bond
orders of benzenoid, but not of nonbenzenoid systems. On the basis
of these investigations a measure of the aromatic character of a
bond is introduced.
Keywords
Hrčak ID:
195933
URI
Publication date:
8.2.1979.
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