ScienceAsia 16 (1990): 043-051 |doi: 10.2306/scienceasia1513-1874.1990.16.043

INTERACTION POTENTIAL BETWEEN BERYLLIUM (ID ION AND AMMONIA DERIVED FROM AB-INITIO CALCULATIONS

VITHAYA W. RUANGPORNVISUTI AND THEPJUMNONG SANGSOONTORN

ABSTRACT: An analytical pair potential function for beryllium (11) ion interacting with ammonia was constructed by fitting process of well-selected 150 interaction-data points. The potential interactions were calculated by means of ab initio SCF-LCAO-MO method, based on the double zeta basis function including polarization.

Download PDF

Department of Chemistry, Faculty of Science, Chulalongkorn University, Bangkok 10330 Thailand.

Received 8 December 1989