Structural properties of aluminum doped with zinc oxide (ZnO) nanoparticle theoretical study by Gaussian 09 program

IH Hilal, RH Jabbar, SJ Jabbar - IOP Conference Series: Earth …, 2021 - iopscience.iop.org
In this research paper study effect of adding aluminum to Zinc Oxide (ZnO) nanoparticle
various properties of the ground and excited electronic state of ZnO nanoparticle delve into …

Theoretical, Voltammetric and Thermodynamic study for Cadmium (II)-Tyrosine Complex at 293-313 K

AN Abed, AA Ibrahim - Egyptian Journal of Chemistry, 2021 - journals.ekb.eg
The electrochemical of the complexation was applied to evaluate different thermodynamic
parameters ( G, H and S) for the cadmium (II)-tyrosine compound using valtammteric …

Comparison study of HOMO-LUMO energy gaps for tautomerism of triazoles in different solvents using theoretical calculations

AA Ibrahim, MA Ibrahim, EA Sulliman… - NTU Journal of Pure …, 2021 - journals.ntu.edu.iq
The phenomena of the tautomerism forms of the substituted triazoles compounds which are
named [1-A](5-phenyl-1H-1, 2, 4-triazol-3-amine),[1-B](3-phenyl-1H-1, 2, 4-triazol-5 …

Quantum Calculations of pKa values for Some Amine Compounds

A Ibrahim, S Daood, E Sulliman - Proceedings of the 1st International Multi …, 2020 - eudl.eu
The theoretical calculations methods DFT/STO-3G, DFT/6-31G, DFT/6-31G (d, p), HF/STO-
3G, HF/6-31G and HF/6-31G (d, p) are used to determination the physic-chemical …