Effect of the phosphonomethylene moiety on the structural, vibrational, energetic, thermodynamic and optical proprieties of ((Phenylcarbamoylmethyl-phosphonomethyl-amino)-methyl)-phosphonic acid: DFT investigation
Imene Kirouani, Abdelkader Hellal, Ines Haddadi, Houdheifa Layaida, Abdelghani Madani, Salim Madani, M.F. Haroun, R. Djebaïli, Lasnouni Touafri, Chawki Bensouıcı
Topics & Concepts
ChemistryMoietyMulliken population analysisDensity functional theoryMoleculeYield (engineering)HOMO/LUMOAcetamideProton NMRPhysical chemistryComputational chemistryReactivity (psychology)DipoleMolecular orbitalOrganic chemistryMetallurgyAlternative medicineMaterials sciencePathologyMedicineOrganophosphorus compounds synthesisSynthesis and Characterization of Heterocyclic CompoundsMetal complexes synthesis and properties