Litcius/Paper detail

Computational investigation on interaction mechanism of sulfur mustard adsorption by zeolitic imidazolate frameworks ZIF-8 and ZIF-67: Insights from periodic and cluster DFT calculations

Hassane Lgaz, Han‐Seung Lee

2021Journal of Molecular Liquids35 citationsDOI

Topics & Concepts

Zeolitic imidazolate frameworkPhysisorptionAdsorptionDensity functional theoryMoleculeChemistryCluster (spacecraft)Computational chemistryMetal-organic frameworkImidazolateSulfurSulfideCombinatorial chemistryPhysical chemistryInorganic chemistryOrganic chemistryComputer scienceProgramming languageMetal-Organic Frameworks: Synthesis and ApplicationsSulfur Compounds in BiologySynthesis and Characterization of Heterocyclic Compounds
Computational investigation on interaction mechanism of sulfur mustard adsorption by zeolitic imidazolate frameworks ZIF-8 and ZIF-67: Insights from periodic and cluster DFT calculations | Litcius