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Modelling of the critical micelle concentrations (cmc) using the molecular connectivity indices was performed for a set of 21 cationic gemini surfactants with medium-length spacers. The obtained model contains only the second-order Kier and Hall molecular connectivity index. It is suggested that the index 2 v includes some information about flexibility. The… (More)
The extensions of generalized (molecular) graph-theoretical matrix and vector-matrix-vector procedure are considered. The elements of the generalized matrix are redefined in order to describe molecules containing heteroatoms and multiple bonds. The adjacency, distance, detour and reciprocal distance matrices of heterosystems, and corresponding vectors are… (More)