Istanbul
Turkey
Boğaziçi University
DFT, single atom catalyst, selectivity, hydrogenation, energetic span model
Naphthenic acids, pyrolysis, decarboxylation, dehydration, kinetics, quantum mechanics
DFT, HY-zeolite, modeling, Proton spill-over, ligand exchange
Density Functional Theory, Plane-Wave Self Consistent Field, Caffeine, OH radical