Izvorni znanstveni članak

Detour and Cluj-Detour Indices

Mircea V. Diudea ; Department of Chemistry, Babes-Bolyai University, 11 Arany Janos Str., R-3400 Cluj, Romania
Gabriel Katona ; Department of Chemistry, Babes-Bolyai University, 11 Arany Janos Str., R-3400 Cluj, Romania
István Lukovits ; Central Research Institute for Chemistry, Hungarian Academy of Sciences, H-1525 Budapest, P. O. Box 17, Hungary
Nenad Trinajstić ; Rugjer Bošković Institute, P.O.B. 1016, HR-10001 Zagreb, Croatia

Sažetak

Recently proposed Cluj matrices: the Cluj-distance matrix and the Cluj-detour matrix are reviewed. New Harary-type indices on the detour and Cluj-detour matrices are defined. Additionally, the formulae for calculating these indices of cycles are derived. Modeling of boiling points for a set of 32 acyclic and cyclic octanes using Cluj indices and their Harary counterparts is presented. The best structure-boiling point relationships are obtained by means of the multiple linear regression using either combinations of two reciprocal paths numbers (1/p2, 1/p3) and detour and hyper-detour indices or a combination of the same two reciprocal path numbers and Harary indices derived from the edge-defined and path-defined Cluj matrices.

Ključne riječi

Hrčak ID:

132360

URI

https://hrcak.srce.hr/132360

Datum izdavanja:

1.10.1998.

Posjeta: 776 *