Modeling of boiling points of saturated hydrocarbons with invariants of the generalised Z matrix (CROSBI ID 463241)
Prilog sa skupa u zborniku | sažetak izlaganja sa skupa | međunarodna recenzija
Podaci o odgovornosti
Plavšić, Dejan ; Šoškić, Milan ; Đaković, Zorislav ; Bešlo, Drago ; Gutman, Ivan ; Graovac, Ante
engleski
Modeling of boiling points of saturated hydrocarbons with invariants of the generalised Z matrix
The Z matrix is originally defined for trees. Due to the existence of a surjective mapping between the set of paths and the set of vertices of a general undirected molecular graph, the Z matrix could be generalized in different ways. A few possibilities to resolve this problem are discussed. For edge-weighted graphs, the Z_ew matrix based on the novel Z^* index is defined. In analogy to path numbers, invariants ^kZ, k=1,2..., are introduced and their correlation with boiling points of saturated hydrocarbons is studied.
Hosoya Z matrix; generalization; general connected edge-weighted graph; bolining points of saturated monocyclic hydrocarbons; QSPR modeling
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Podaci o prilogu
51-51-x.
1997.
objavljeno
Podaci o matičnoj publikaciji
Podaci o skupu
MATCH/CHEM/COMP´97, The Twelfth Dubrovnik International Course & The Fourth Croatian Meeting on Fullerenes
poster
23.06.1997-28.06.1997
Dubrovnik, Hrvatska