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Pregled bibliografske jedinice broj: 396531

Statistical investigation of new topological indices based on the molecular path code


Vukičević, Damir; Beteringhe, Adrian; Constantinescu, Titus; Pompe, Matevž; Balaban, Alexandru
Statistical investigation of new topological indices based on the molecular path code // Chemical Physics Letters, 464 (2008), 4-6; 155-159 (međunarodna recenzija, članak, znanstveni)


Naslov
Statistical investigation of new topological indices based on the molecular path code

Autori
Vukičević, Damir ; Beteringhe, Adrian ; Constantinescu, Titus ; Pompe, Matevž ; Balaban, Alexandru

Izvornik
Chemical Physics Letters (0009-2614) 464 (2008), 4-6; 155-159

Vrsta, podvrsta i kategorija rada
Radovi u časopisima, članak, znanstveni

Ključne riječi
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.

Izvorni jezik
Engleski

Znanstvena područja
Matematika, Kemija



POVEZANOST RADA


Projekt / tema
037-0000000-2779 - Diskretna matematika i primjene (Dragutin Svrtan, )
177-0000000-0884 - Diskretni matematički modeli u kemiji (Damir Vukičević, )

Ustanove
Prirodoslovno-matematički fakultet, Split

Autor s matičnim brojem:
Damir Vukičević, (256631)

Časopis indeksira:


  • Current Contents Connect (CCC)
  • Web of Science Core Collection (WoSCC)
    • Science Citation Index Expanded (SCI-EXP)
    • SCI-EXP, SSCI i/ili A&HCI
  • Scopus