caa a22 4500 469038292 CHVBK 20180323132802.0 cr unu---uuuuu 170328e19920801xx s 000 0 eng 10.1007/BF00812314 doi (NATIONALLICENCE)springer-10.1007/BF00812314 Electrostatic potentials of molecules and prediction of the lewis acid-base properties of solvents, part I. General considerations [Elektronische Daten] [Witold Mizerski, Marek Kalinowski] Elektrostatische Potentiale von Molekülen und Voraussage von Lewis-Säure-Base-Eigenschaften von Lösungsmitteln, 1. Mitt.: Allgemeine Grundlagen Summary: Electrostatic potentials in the vicinity of isolated molecules of typical nonaqueous solvents were computed in the MNDO approximation. It was found that the calculated dipole moments are in good agreement with experimental values. However, it turned out that in many cases electrostatic interactions of ions with solvent molecules cannot be described in the frame of ion-dipole interactions. Thus, two computable parameters,UN andUP describing short-range electrostatic interactions of a solvent molecule with a cation or an anion of radiusR were proposed. The dependence ofUN andUP uponR is analyzed in the context of ion-solvent interactions. Springer-Verlag, 1992 Electrostatic interactions nationallicence MNDO calculations nationallicence Solvent effect nationallicence Mizerski Witold Department of Chemistry, University of Warsaw, PL-02093, Warszawa, Poland aut Kalinowski Marek Department of Chemistry, University of Warsaw, PL-02093, Warszawa, Poland aut Monatshefte für Chemie / Chemical Monthly Springer-Verlag 123/8-9(1992-08-01), 665-674 0026-9247 123:8-9<665 1992 123 706 https://doi.org/10.1007/BF00812314 text/html Onlinezugriff via DOI 1 research-article jats NATIONALLICENCE 856 40 https://doi.org/10.1007/BF00812314 text/html Onlinezugriff via DOI NATIONALLICENCE 700 1- Mizerski Witold Department of Chemistry, University of Warsaw, PL-02093, Warszawa, Poland aut NATIONALLICENCE 700 1- Kalinowski Marek Department of Chemistry, University of Warsaw, PL-02093, Warszawa, Poland aut NATIONALLICENCE 773 0- Monatshefte für Chemie / Chemical Monthly Springer-Verlag 123/8-9(1992-08-01), 665-674 0026-9247 123:8-9<665 1992 123 706 Metadata rights reserved Springer special CC-BY-NC licence nationallicence SWISSBIB 469038225 BK010053 XK010053 XK010000 NATIONALLICENCE NATIONALLICENCE NL-springer