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Ab initio molecular dynamics simulation of methanol interacting with acidic zeolites of different framework structure

Chemical ThermodynamicsMolecular DynamicsEngineeringNatural SciencesMethanolComputational ChemistryQuantum ChemistryChemistryAcidic ZeolitesZeoliteChemical KineticsDifferent Framework StructureBiophysicsAb-initio Method