QSPR studies using the variable vertex-connectivity index: boiling points of aliphatic amines (CROSBI ID 482597)
Prilog sa skupa u zborniku | sažetak izlaganja sa skupa | međunarodna recenzija
Podaci o odgovornosti
Kezele, Nenad ; Klasinc, Leo ; von Knop, Jan ; Ivaniš, Sanja ; Nikolić, Sonja ; Trinajstić, Nenad
engleski
QSPR studies using the variable vertex-connectivity index: boiling points of aliphatic amines
A new procedure for computing variable vertex-connectivity indices is proposed and the corresponding iterative least squares program is devised. Aliphatic amines have been selected as test molecules because structure-boiling point models based on the fixed vertex-connectivity indices for them exists in the literature. Models obtained by the variable indices are superior to models based on the fixed vertex-connectivity indices.
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Podaci o prilogu
46-x.
2001.
objavljeno
Podaci o matičnoj publikaciji
MATH/CHEM/COMP 2001, Book of Abstracts
Graovac, Ante; Pokrić, Biserka; Smrečki, Vilko
Zagreb: Institut Ruđer Bošković
Podaci o skupu
MATH/CHEM/COMP 2001 - The 16th Dubrovnik International Course & Conference on the Interfaces among Mathematics, Chemistry and Computer Sciences
poster
25.06.2001-30.06.2001
Dubrovnik, Hrvatska