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Pregled bibliografske jedinice broj: 396531

Časopis

Autori: Vukičević, Damir; Beteringhe, Adrian; Constantinescu, Titus; Pompe, Matevž; Balaban, Alexandru
Naslov: Statistical investigation of new topological indices based on the molecular path code
( Statistical investigation of new topological indices based on the molecular path code )
Izvornik: Chemical Physics Letters (0009-2614) 464 (2008), 4-6; 155-159
Vrsta rada: članak
Ključne riječi: topological indices; molecular path code
( topological indices; molecular path code )
Sažetak:
On checking for the statistical significance of correlations between six physical properties of 131 constitutional isomers of alkanes with 6-10 carbon atoms and new topological indices based on the molecular path code analyzed previously in [A.T. Balaban, A. Beteringhe, T. Constantinescu, P. A. Filip, O. Ivanciuc, J. Chem. Inf. Model. 47 (2007) 716.], it was found that only the correlations with the density at 25 degrees C, the Gibbs free energy of formation in gaseous state, and the refractive index at 25 degrees C had valid high coefficients of determination, whereas the variance of the molar heat capacity and of the normal boiling point was due to clustering according to the number of carbon atoms. Correlations with the vaporization enthalpy had an intermediate position.
Projekt / tema: 037-0000000-2779, 177-0000000-0884
Izvorni jezik: eng
Rad je indeksiran u
bazama podataka:
Current Contents Connect (CCC)
Scopus
SCI-EXP, SSCI i/ili A&HCI
Science Citation Index Expanded (SCI-EXP) (sastavni dio Web of Science Core Collectiona)
Kategorija: Znanstveni
Znanstvena područja:
Matematika,Kemija
URL cjelovitog teksta:
Google Scholar: Statistical investigation of new topological indices based on the molecular path code
Upisao u CROSBI: vukicevi@pmfst.hr (vukicevi@pmfst.hr), 31. Svi. 2009. u 16:51 sati



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