ELECTROSTATIC POTENTIAL PROPERTIES OF ELECTRON DENSITY REGARDING TO CHROMATE- AND PHOSPHATE-ANIONS SORPTION ACTIVITY

Abstract

The comparative analysis of functions allocations was performed to describe a sorption activity of PO₄^3–, CrO₄^2– and their protonated forms. These functions were obtained on the basis of electron density and electrostatic potential properties of anions at the defined electron density contour to investi gate the possibility of these features in the description of the relative sorption activity of the ions.