Using the Electronic Density Functional Theory (DFT) to Studying Some of Uranium Compounds
published by Aِl-Baath University
in 2016
in
and research's language is
العربية
Download
Abstract in English
In this work some of Uranium compounds have
been studied using B3LYB/SDDALL Basis set and electron
density theory (DFT), That is because of the high accuracy and
reliability for the results obtained.
References used
GAGLIARDI L. and ROOS O., 2000, “Uranium triatomic compounds XUY (X ,Y = C, N, O): a combined multicongurational second order perturbation and density functional study,” Chem. Phys. Lett., vol. 331, no. December, pp. 229–234
MAJUMDAR D. and BALASUBRAMANIAN K., 2005, “Theoretical studies on the electronic structures of [uranyl] and its metal salts: M2UO2(CO3)2 (M = Li and Na),” Mol. Phys., vol. 103, no. 6, pp. 931–938
ROOS O. and DYKE J. M., 2001, “On the Electronic Structure of the UO 2 Molecule,” J. Phys. Chem., vol. 105, pp. 10602– 10606