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Modeling physisorption with the ONIOM method: the case of NH3 at the isolated hydroxyl group of the silica surface

Molecular SieveChemical EngineeringIsolated Hydroxyl GroupEngineeringMolecular SievingClay MineralEnvironmental RemediationOniom MethodSilica SurfacePhysical ChemistryChemisorptionAdsorptionChemistryMineral ProcessingChemical Kinetics