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Pregled bibliografske jedinice broj: 40707

Prediction of liquid viscosity for organic compounds by a quantative structure-property relationship


Katritzky, A.R.; Chen, K.; Wang, Y.; Karelson, M.; Lučić, Bono; Trinajstić, Nenad; Suzuki, T.; Schüürmann, G.
Prediction of liquid viscosity for organic compounds by a quantative structure-property relationship // Journal of physical organic chemistry, 13 (2000), 1; 80-86 (međunarodna recenzija, članak, znanstveni)


Naslov
Prediction of liquid viscosity for organic compounds by a quantative structure-property relationship

Autori
Katritzky, A.R. ; Chen, K. ; Wang, Y. ; Karelson, M. ; Lučić, Bono ; Trinajstić, Nenad ; Suzuki, T. ; Schüürmann, G.

Izvornik
Journal of physical organic chemistry (0894-3230) 13 (2000), 1; 80-86

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

Sažetak
The liquid viscosity of 361 organic compounds containing C, H, N, O, S and/or halogens was investigated using a quantitative structure-property relationship (QSPR) approach. A five-descriptor equation was obtained with a squared correlation coefficient (R-2) of 0.854 and a standard error (S) of 0.22 log units. The data set was divided into three subsets and each of these was cross-validated by the model obtained from the complementary two subsets; the result indicates a high statistical robustness of the overall model. The average absolute error S-2 of 0.0494 log units is small compared with the overall range of eta of 1490 mPas.

Izvorni jezik
Engleski

Znanstvena područja
Kemija



POVEZANOST RADA


Projekt / tema
00980606

Ustanove
Institut "Ruđer Bošković", Zagreb

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


Uključenost u ostale bibliografske baze podataka:


  • Chemical Abstracts
  • Chemical Abstracts
  • Chemical Abstracts