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Estimation of the Normal Boiling Points of Haloalkanes Using Molecular Similarity

Subhash C. Basak ; Natural Resources Research Institute, University of Minnesota, 5013 Miller Trunk Highway, Duluth, MN 55811, USA
Brian D. Gute ; Natural Resources Research Institute, University of Minnesota, 5013 Miller Trunk Highway, Duluth, MN 55811, USA
Gregory D. Grunwald ; Natural Resources Research Institute, University of Minnesota, 5013 Miller Trunk Highway, Duluth, MN 55811, USA

Puni tekst: engleski, pdf (6 MB) str. 1159-1173 preuzimanja: 234* citiraj
APA 6th Edition
Basak, S.C., Gute, B.D. i Grunwald, G.D. (1996). Estimation of the Normal Boiling Points of Haloalkanes Using Molecular Similarity. Croatica Chemica Acta, 69 (3), 1159-1173. Preuzeto s https://hrcak.srce.hr/177136
MLA 8th Edition
Basak, Subhash C., et al. "Estimation of the Normal Boiling Points of Haloalkanes Using Molecular Similarity." Croatica Chemica Acta, vol. 69, br. 3, 1996, str. 1159-1173. https://hrcak.srce.hr/177136. Citirano 21.06.2021.
Chicago 17th Edition
Basak, Subhash C., Brian D. Gute i Gregory D. Grunwald. "Estimation of the Normal Boiling Points of Haloalkanes Using Molecular Similarity." Croatica Chemica Acta 69, br. 3 (1996): 1159-1173. https://hrcak.srce.hr/177136
Harvard
Basak, S.C., Gute, B.D., i Grunwald, G.D. (1996). 'Estimation of the Normal Boiling Points of Haloalkanes Using Molecular Similarity', Croatica Chemica Acta, 69(3), str. 1159-1173. Preuzeto s: https://hrcak.srce.hr/177136 (Datum pristupa: 21.06.2021.)
Vancouver
Basak SC, Gute BD, Grunwald GD. Estimation of the Normal Boiling Points of Haloalkanes Using Molecular Similarity. Croatica Chemica Acta [Internet]. 1996 [pristupljeno 21.06.2021.];69(3):1159-1173. Dostupno na: https://hrcak.srce.hr/177136
IEEE
S.C. Basak, B.D. Gute i G.D. Grunwald, "Estimation of the Normal Boiling Points of Haloalkanes Using Molecular Similarity", Croatica Chemica Acta, vol.69, br. 3, str. 1159-1173, 1996. [Online]. Dostupno na: https://hrcak.srce.hr/177136. [Citirano: 21.06.2021.]

Sažetak
A molecular similarity measure has been used to estimate the normal
boiling points of a set of 267 haloalkanes with 1-4 carbon atoms.
Molecular similarity/dissimilarity was quantified in terms of Euclidean distances of molecules in the eight dimensional principal component space derived from fifty-nine topological indices. Correlation coefficients between the experimental and estimated boiling points ranged from 0.854 to 0.943 in the K-nearest neighbor estimation of boiling points using a different number of nearest neighbors (K = 1-10, 15, 20, 25).

Hrčak ID: 177136

URI
https://hrcak.srce.hr/177136

Posjeta: 323 *