Theoritical evaluation of Citrus Aurantium leaf extract as green inhibitor for chemical and biological corrosion of mild steel in acidic solution: Statistical, molecular dynamics, docking, and quantum mechanics study
Anees A. Khadom, Mustafa M. Kadhim, Rana A. Anaee, Hameed B. Mahood, Mustafa S. Mahdi, Abbas Washeel Salman
Topics & Concepts
ChemistryDensity functional theoryCorrosionDihedral angleComputational chemistryHOMO/LUMOMoleculePhysical chemistryOrganic chemistryHydrogen bondCorrosion Behavior and InhibitionInorganic and Organometallic ChemistryChemical and Physical Properties in Aqueous Solutions