Theoretical characteristics of metalloporphyrins (OEP) M (CH3) (M=Al, Ga, In and Tl)

Article English OPEN
Lepetit , M.B.; Kabbaj , O.K.; Zrineh , A.;
(2017)
  • Publisher: Der Pharma Chemica
  • Journal: Der Pharma Chemica,volume 9,pages80-86
  • Subject: Quantum Chemistry Program (ORCA) | [ CHIM.THEO ] Chemical Sciences/Theoretical and/or physical chemistry | Density Functional Theory (DFT) | Metalloporphyrins complexes | Quantum chemical calculations

International audience; A theoretical study of metalloporphyrins molecules (OEP) M (CH 3) (M=Al, Ga, In and Tl) are brought to a few experimental data and to give background for future development of these complexes. The Quantum Chemistry Program (ORCA) program package ... View more
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