DFT transition state study of the catalyzed oxidation of methane on SnO2 surfaces
E. Valdez García, G. Carbajal-Franco, Oscar A. López‐Galán
Topics & Concepts
CASTEPAdsorptionExothermic reactionChemistryCatalysisMethanePhysical chemistryEndothermic processMoleculeDensity functional theoryDissociation (chemistry)Transition state theoryTransition stateDesorptionComputational chemistryReaction rate constantOrganic chemistryPhysicsQuantum mechanicsKineticsCatalytic Processes in Materials ScienceGas Sensing Nanomaterials and SensorsCatalysis and Oxidation Reactions