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General Model Based on Connectivity Index 3χv for the Prediction of Stability Constants of Copper II) Complexes with α-amino Acids (CROSBI ID 53168)

Prilog u knjizi | ostalo

Miličević, Ante ; Raos, Nenad General Model Based on Connectivity Index 3χv for the Prediction of Stability Constants of Copper II) Complexes with α-amino Acids // Topics in Chemical Graph Theory / Gutman, Ivan (ur.). Kragujevac: Univerzitet u Kragujevcu, 2014. str. 193-204

Podaci o odgovornosti

Miličević, Ante ; Raos, Nenad

engleski

General Model Based on Connectivity Index 3χv for the Prediction of Stability Constants of Copper II) Complexes with α-amino Acids

We presented the general model for the prediction of stability constants (log K1 and log ß2) of copper(II) complexes with 16 α-amino acids (polar, aromatic and aliphatic), based on 3χv index. The model utilized the presumption of the interactions between the amino-acid side chains of some amino acids and apically bonded water, yielding the standard errors within the experimental errors (S.E. = 0.03, r = 0.992 and S.E. = 0.04, r = 0.991 for log K1 and log ß2, respectively). Also, for the set of nine α-amino acids we obtained regressions of the same quality as previous models but with simpler, i.e. univariate linear model.

Copper(II) chelates, Topological indices, Regression models

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Podaci o prilogu

193-204.

objavljeno

Podaci o knjizi

Topics in Chemical Graph Theory

Gutman, Ivan

Kragujevac: Univerzitet u Kragujevcu

2014.

978-86-6009-027-2

Povezanost rada

Kemija