Exploring the potential of beta-cyclodextrin-based MIL-101(Cr) for pharmaceutical removal from wastewater: A combined density functional theory and molecular simulations study
Iman Salahshoori, Majid Namayandeh Jorabchi, Seyedeh Masoomeh Sadat Mirnezami, Mahdi Golriz, Mariam Darestani, Jalal Barzin, Hossein Ali Khonakdar
Topics & Concepts
CyclodextrinBETA (programming language)Beta-CyclodextrinsDensity functional theoryWastewaterChemistryCombinatorial chemistryComputational chemistryEnvironmental scienceChromatographyComputer scienceEnvironmental engineeringProgramming languageExtraction and Separation ProcessesAdsorption and biosorption for pollutant removalMetal-Organic Frameworks: Synthesis and Applications