Collect. Czech. Chem. Commun.
1988, 53, 2017-2022
https://doi.org/10.1135/cccc19882017
Electronegativities of diatomic molecules calculated by the Xα method with a self-consistent parameter α using the principle of electronegativity equalization
Rezsö Gáspár and Ágnes Nagy
Institute of Theoretical Physics, Kossuth Lajos University, H-4010, Debrecen, Hungary
Abstract
The Xα method with a self-consistent parameter α has been used to calculate the electronegativity of several diatomic molecules. The electronegativities have been determined on the principle of electronegativity equalization using the results of atomic calculations.
