Diatomics-in-ionic-systems and ab initio predictions for the stationary points on potential...

Autor: Grigorenko, Bella L., Moskovsky, Alexander A., Nemukhin, Alexander V.
Předmět:
Zdroj: Journal of Chemical Physics; 9/8/1999, Vol. 111 Issue 10, p4442, 11p
Abstrakt: Focuses on the diatomics-in-ionic systems and ab initio predictions for the stationary points on the potential energy surfaces of the hydrogen fluoride clusters. Reliance of the diatomics-in-ionic systems on the balanced treatment of neutral and ionic contributions to the electronic properties of polyatomic species.
Databáze: Complementary Index