A DFT study of the mechanism of H transfer during steam gasification
Deng Zhao, Hui Liu, Pengcheng Lu, Hongyin Yu, Ming Qin
Topics & Concepts
GraphiteAromaticityChemistryHydrogenElementary reactionThermodynamicsMass transferDesorptionKinetic isotope effectComputational chemistryPhysical chemistryAdsorptionDeuteriumOrganic chemistryAtomic physicsKineticsPhysicsMoleculeQuantum mechanicsChromatographyThermochemical Biomass Conversion ProcessesEnergetic Materials and CombustionThermal and Kinetic Analysis