Structural and DFT/TD-DFT Investigation of New Rhenium Metal Complexes To Elicit the Special Effects of Insulin Najeeb Hussein Neama1,*, AL-Shareefi Mohammed Abdul Ammer1, Abbood Hamid I.2 1University of Babylon, College of Science, Babylon, Iraq 2AL-Mustaqbal University College, Babylon, Iraq *Corresponding author: Hussein Neama Najeeb. University of Babylon, College of Science, Babylon, Iraq; E-mail: Dhifafhussein@yahoo.com
Online published on 6 April, 2019. Abstract Density functional calculations have been performed to study the new metal complexes. Several molecular properties, such as conformational equilibrium, optimal geometry, and vibrational frequencies, have been computed for these molecules. Ionization energies, electronic affinity and energy gap, were also computed. Top Keywords DFT, Rhenium, Complexes. Top |