Electronic band structure and density of state modulation of amphetamine and ABW type–zeolite adsorption system: DFT-CASTEP analysis
Doaa S. El‐Sayed
Topics & Concepts
CASTEPAdsorptionDensity functional theoryChemistryThermodynamicsDensity of statesGibbs free energyPhysical chemistryComputational chemistryBasis setCondensed matter physicsPhysicsIonic liquids properties and applicationsGold and Silver Nanoparticles Synthesis and ApplicationsSurface Chemistry and Catalysis