Surface interaction and inhibition mechanism prediction of Aciclovir molecule on Fe (110) using computational model based on DFT, RDF and MD simulation
Valentine Chikaodili AnadebeDepartment of Chemical Engineering, Alex Ekwueme Federal University Ndufu Alike, PMB 1010, Abakakili, Ebonyi State, NigeriaF. E. AbengMaterials and Electrochemistry Research Group, Department of Chemistry, University of Cross River State. P. M. B. 1123, Calabar, NigeriaAbhinay ThakurDivision of Research and Development Cell, Lovely Professional University, Punjab, 144411, IndiaKonstantin P. KatinNational Research Nuclear University “MEPhI”, Kashirskoe Shosse 31, Moscow 115409, Russian FederationElyor BerdimurodovChemical & Materials Engineering, New Uzbekistan University, Movarounnahr Street 1, Tashkent 100000, UzbekistanTitus Chinedu EgbosiubaDepartment of Chemical Engineering, Chukwuemeka Odumegwu Ojukwu University, P.M.B 02, Uli Campus, Anambra State, NigeriaEno E. EbensoCentre for Materials Science, College of Science, Engineering and Technology, University of South Africa, Johannesburg 1710, South Africa
ABI
Abstract
No abstract available.