Tackling antibiotic contaminations in wastewater with novel Modified-MOF nanostructures: A study of molecular simulations and DFT calculations
Iman Salahshoori, Majid Namayandeh Jorabchi, Afsaneh Mazaheri, Seyedeh Masoomeh Sadat Mirnezami, Mahdis Afshar, Mahdi Golriz, Marcos A.L. Nobre
Topics & Concepts
AdsorptionDensity functional theoryChemistryMolecular dynamicsComputational chemistryvan der Waals forceHydrogen bondMoleculeMolecular orbitalPhysical chemistryOrganic chemistryMetal-Organic Frameworks: Synthesis and ApplicationsCovalent Organic Framework ApplicationsAdvanced Photocatalysis Techniques