The Distance Matrix in Chemistry (CROSBI ID 220447)
Prilog u časopisu | izvorni znanstveni rad | međunarodna recenzija
Podaci o odgovornosti
Mihalić, Zlatko ; Veljan, Darko ; Amić, Dragan ; Nikolić, Sonja ; Plavšić, Dejan ; Trinajstić, Nenad
engleski
The Distance Matrix in Chemistry
The graph-theoretical (topological) distance matrix and the geometric (topographic) distance matrix and their invariants (polynomials, spectra, determinants and Wiener numbers) are presented. Methods of computing these quantities are discussed. The uses of the distance matrix in both forms and the related invariants in chemistry are surveyed. Special attention is paid to the 2D and 3D Wiener numbers, defined respectively as one half of the sum of entries in the topological distance matrix and the topographic distance matrix. These numbers appear to be very valuable molecular descriptors in the structure-property correlations.
chemical graphs ; constitutional symmetry ; chromatographic data ; retention indexes
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Podaci o izdanju
11 (1)
1992.
223-258
objavljeno
0259-9791
1572-8897
10.1007/BF01164206