caa a22 4500 469038225 CHVBK 20180323132801.0 cr unu---uuuuu 170328e19920801xx s 000 0 eng 10.1007/BF00812315 doi (NATIONALLICENCE)springer-10.1007/BF00812315 Electrostatic potentials of molecules and prediction of the lewis acid-base properties of solvents, part II. Application of electrostatic parameters [Elektronische Daten] [Witold Mizerski, Marek Kalinowski] Elektrostatische Potentiale von Molekülen und Voraussage von Lewis-Säure-Base-Eigenschaften von Lösungsmitteln, 2. Mitt.: Anwendung elektrostatischer Parameter Summary: Electrostatic parameters,UN andUP, introduced previously, have been applied to predict solvent acid and base properties. TheUN parameter correlates well with the electrostatic component of solvent basicity. This parameter also significantly improves correlations between Koppel-Paju, Kamlet-Taft and Gutmann basicity scales. TheUP parameter combined with Mullikan charges at hydrogen atoms of the solvent molecules allows an estimation of solvent acidity parameters in the frame of the two-parameter similarity model. The results show that parameters computed with the MNDO method for isolated molecules are suitable for molecules of nonaqueous solvents in liquid state. Springer-Verlag, 1992 Basicity nationallicence Acidity nationallicence Electrostatic potential nationallicence Solvent effect nationallicence Mizerski Witold Department of Chemistry, University of Warsaw, PL-02-093, Warszawa, Poland aut Kalinowski Marek Department of Chemistry, University of Warsaw, PL-02-093, Warszawa, Poland aut Monatshefte für Chemie / Chemical Monthly Springer-Verlag 123/8-9(1992-08-01), 675-686 0026-9247 123:8-9<675 1992 123 706 https://doi.org/10.1007/BF00812315 text/html Onlinezugriff via DOI 1 research-article jats NATIONALLICENCE 856 40 https://doi.org/10.1007/BF00812315 text/html Onlinezugriff via DOI NATIONALLICENCE 700 1- Mizerski Witold Department of Chemistry, University of Warsaw, PL-02-093, Warszawa, Poland aut NATIONALLICENCE 700 1- Kalinowski Marek Department of Chemistry, University of Warsaw, PL-02-093, Warszawa, Poland aut NATIONALLICENCE 773 0- Monatshefte für Chemie / Chemical Monthly Springer-Verlag 123/8-9(1992-08-01), 675-686 0026-9247 123:8-9<675 1992 123 706 Metadata rights reserved Springer special CC-BY-NC licence nationallicence SWISSBIB 469038225 BK010053 XK010053 XK010000 NATIONALLICENCE NATIONALLICENCE NL-springer