The Classification of Solvents by Combining Classical QSPR Methodology with Principal Component Analysis

The results of a quantitative structure−property relationship (QSPR) analysis of 127 different solvent scales and 774 solvents using the CODESSA PRO program are presented. QSPR models for each scale were constructed using only theoretical descriptors. The high quality of the models is reflected by t...

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Veröffentlicht in:	The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory Molecules, spectroscopy, kinetics, environment, & general theory, 2005-11, Vol.109 (45), p.10323-10341
Hauptverfasser:	Katritzky, Alan R., Fara, Dan C., Kuanar, Minati, Hur, Evrim, Karelson, Mati
Format:	Artikel
Sprache:	eng
Online-Zugang:	Volltext
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