T. I. Odiaka

Molecular Simulation of Tricarbonyl (1-4-η-5-exo-N-X,X-dimethylpyridino-cyclohexa-1,3-diene) Iron Complexes:- A Semi Empirical PM6 Approach

O. F. Akinyele, T. I. Odiaka & I. A. Adejoro · Chemical Science International Journal · 2016

We report herein the simulation of Tricarbonyl (1-4-η-5-exo-N-X,X-dimethyl pyridino-cyclohexa-1,3-diene) iron complexes that were carried out on the theoretical ground state  geometries, electronic, thermodynamic properties and vibrational frequencies using semi empirical PM6 met...