Computational insights into the corrosion inhibition mechanism of hyoscyamine and zonisamide on mild steel: A combined DFT, MD, and NCI analysis
Valentine Chikaodili AnadebeCentre for Materials Science, College of Science, Engineering and Technology, University of South Africa, Johannesburg, 1710, South Africa; Department of Chemical Engineering, Alex Ekwueme Federal University, Ndufu Alike, PMB 1010, Abakaliki, Ebonyi State, Nigeria. Electronic address: [email protected]Collince Omondi AwereDepartment of Biotechnology, Sci. Campus, Alagappa University, Karaikudi, 630003, Tami Nadu, IndiaAbhinay ThakurCentre for Materials Science, College of Science, Engineering and Technology, University of South Africa, Johannesburg, 1710, South Africa; Division of Research and Development, Lovely Professional University, Punjab, 144411, India. Electronic address: [email protected]Konstantin P. KatinNational Research Nuclear University, MEPhI, Kashirskoe Shosse 31, Moscow, 115409, Russian FederationElyor BerdimurodovSchool of Medicine, Central Asian University, Tashkent, 111221, Uzbekistan; University of Tashkent for Applied Sciences, Str. Gavhar 1, Tashkent, 100149, Uzbekistan; Faculty of Chemistry, National University of Uzbekistan, Tashkent, 100034, UzbekistanAbir BoubliaUniversité de Lorraine, CNRS, L2CM, F-54000, Nancy, FranceAbdullah K. AlanaziDepartment of Chemistry, College of Science, Taif University, Taif, Saudi ArabiaTitus Chinedu EgbosiubaChemical Engineering Department, Chukwuemeka Odumegwu Ojukwu University, Anambra State, Nigeria; Linda and Bipin Doshi, Chemical Engineering Department, Missouri University of Science and Technology, Rolla, MO, 65409, United States of AmericaYacine BenguerbaLaboratoire de Biopharmacie Et Pharmacotechnie (LBPT), Université Ferhat ABBAS Sétif-1, 19000, Sétif, Algeria. Electronic address: [email protected]Eno E. EbensoCentre for Materials Science, College of Science, Engineering and Technology, University of South Africa, Johannesburg, 1710, South Africa. Electronic address: [email protected]
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