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Molecular dynamics and quantum simulation of different cationic dyes removal from contaminated water using UiO-66 (Zr)-(COOH)2 metal–organic framework

Feng Li, Jiajun Liu, Nidal H. Abu‐Hamdeh, Smain Bezzina, Rahime Eshaghi Malekshah

2021Journal of Molecular Liquids81 citationsDOI

Topics & Concepts

ChemistryHOMO/LUMOCationic polymerizationAdsorptionCrystal violetElectronegativityMoleculeMolecular orbitalInorganic chemistryPhysical chemistryOrganic chemistryPathologyMedicineMetal-Organic Frameworks: Synthesis and ApplicationsX-ray Diffraction in CrystallographyThermal and Kinetic Analysis
Molecular dynamics and quantum simulation of different cationic dyes removal from contaminated water using UiO-66 (Zr)-(COOH)2 metal–organic framework | Litcius