Naslov
The detour matrix and the detour index

Autori
Nikolić, Sonja ; Trinajstić, Nenad ; Mihalić, Zlatko

Vrsta, podvrsta i kategorija rada
Poglavlja u knjigama, znanstveni

Knjiga
Topological indices and related descriptors in QSAR and QSPR

Urednik/ci
Devillers, James ; Balaban, Alexandru T.

Izdavač
CRC Press

Grad
London : Delhi

Godina
1999

Raspon stranica
279-306

ISBN
9780429180590

Ključne riječi
detour matrix ; detour polynomial ; detour spectrum ; detour index

Sažetak
Detour matrix is a novel matrix in chemistry. Here this matrix is defined in two ways depending on how one defines its diagonal elements. The definition of the distance matrix is also given. A brief survey of methods for computing the detour matrix is presented. The invariants of the detour matrix: the detour polynomial, the detour spectrum and the detour index are defined and their properties listed. Examples of graphs with identical detour matrices and/or detour indices are shown. The use of the detour index in the structure-property modeling is discussed. It is shown that the detour index in combination with the Wiener index is very efficient in the structure-boiling point modeling of acyclic and cyclic saturated hydro­ carbons.

Izvorni jezik
Engleski

Znanstvena područja
Kemija

POVEZANOST RADA