1.
Comput Chem
; 25(5): 429-38, 2001 Sep.
Article
in English
| MEDLINE
| ID: mdl-11513233
ABSTRACT
A program in Maple V is developed that allows for the calculation of polarizabilities of both anions and cations on the basis of a new method and of the extension of the one developed previously. Furthermore, an alternative way of evaluation of delta r(i)/delta p is given. Values of delta alpha(total)/delta p can be evaluated for a given salt even when experimental data at high pressures are not available.