Croatica Chemica Acta, Vol. 69 No. 3, 1996.
Original scientific paper
The Detour Index
Istvan Lukovits
; Central Research Institute for Chemistry, Hungarian Academy of Sciences, H-1525 Budapest, PD.Box 17, Hungary
Abstract
The detour index w is the sum of all entries in the upper triangle
of the detour matrix LI, where the ij-th entry Lli} denotes the length
of the longest path between vertices i and j of the underlying
graph. The Wiener index Wand w are equivalent for acyclic structures,
but are different in cycle-containing graphs. Similarly the hyper-Wiener index F and its analogue the hyper-detour index y are equivalent in acyclic structures and are different in cyclic structures. Several formulas were derived for w and y. Excellent correlations between boiling points and the composite indices (Ww)1I8 and (ry)1I10 were found in a series consisting of 77 cyclic and acyclic alkanes.
Keywords
Hrčak ID:
177118
URI
Publication date:
1.11.1996.
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