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Izvorni znanstveni članak
A Structure-Property Study of the Solubility of Aliphatic Alcohols in Water
Bono Lučić
orcid.org/0000-0001-7232-2007
; The Rugjer Bošković Institute, HR-10 001 Zagreb, The Republic of Croatia
Sonja Nikolić
; The Rugjer Bošković Institute, HR-10 001 Zagreb, The Republic of Croatia
Nenad Trinajstić
; The Rugjer Bošković Institute, HR-10 001 Zagreb, The Republic of Croatia
Albin Jurić
; Department of Chemistry, Agricultural Institute, HR-43 260 Križevci, The Republic of Croatia
Zlatko Mihalić
; Faculty of Natural Sciences, The University of Zagreb, HR-10 001 Zagreb, The Republic of Croatia
| Puni tekst: engleski, pdf (23 MB) | str. 417-434 | citiraj | |
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APA 6th Edition Lučić, B., Nikolić, S., Trinajstić, N., Jurić, A. i Mihalić, Z. (1995). A Structure-Property Study of the Solubility of Aliphatic Alcohols in Water. Croatica Chemica Acta, 68 (3), 417-434. Preuzeto s https://hrcak.srce.hr/136704 MLA 8th Edition Lučić, Bono, et al. "A Structure-Property Study of the Solubility of Aliphatic Alcohols in Water." Croatica Chemica Acta, vol. 68, br. 3, 1995, str. 417-434. https://hrcak.srce.hr/136704. Citirano 07.03.2021. Chicago 17th Edition Lučić, Bono, Sonja Nikolić, Nenad Trinajstić, Albin Jurić i Zlatko Mihalić. "A Structure-Property Study of the Solubility of Aliphatic Alcohols in Water." Croatica Chemica Acta 68, br. 3 (1995): 417-434. https://hrcak.srce.hr/136704 Harvard Lučić, B., et al. (1995). 'A Structure-Property Study of the Solubility of Aliphatic Alcohols in Water', Croatica Chemica Acta, 68(3), str. 417-434. Preuzeto s: https://hrcak.srce.hr/136704 (Datum pristupa: 07.03.2021.) Vancouver Lučić B, Nikolić S, Trinajstić N, Jurić A, Mihalić Z. A Structure-Property Study of the Solubility of Aliphatic Alcohols in Water. Croatica Chemica Acta [Internet]. 1995 [pristupljeno 07.03.2021.];68(3):417-434. Dostupno na: https://hrcak.srce.hr/136704 IEEE B. Lučić, S. Nikolić, N. Trinajstić, A. Jurić i Z. Mihalić, "A Structure-Property Study of the Solubility of Aliphatic Alcohols in Water", Croatica Chemica Acta, vol.68, br. 3, str. 417-434, 1995. [Online]. Dostupno na: https://hrcak.srce.hr/136704. [Citirano: 07.03.2021.] |
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Sažetak
This report presents the best possible QSPR models for predicting the solubility of aliphatic alcohols in water that can be obtained with non-orthogonalized valence-connectivity basis. The corresponding models with orthogonalized basis, ordered in the usual manner, are also given. However, both models are statistically equivalent. Therefore, we proposed a novel approach to the QSPR modelling, which is based on the consideration of all possible or- thogonalization orderings of the valence-connectivity basis and dominant descriptor analysis. This novel procedure produced models that are better than the empirical models of Amidon et al. and the Kier-Hall models when considering the same source of experimental data.
Hrčak ID: 136704
URI
https://hrcak.srce.hr/136704
Moj profil
Srce