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While Pt-nanoparticles supported on SnO2 exhibit improved durability, a substantial detriment is observed on the Pt-nanoparticles’ activity toward the oxygen reduction reaction. A density functional theory method is used to calculate isolated, SnO2- and graphene-supported Pt-nanoparticles. Work function difference between the Pt-nanoparticles and SnO2 leads to electron donation from the nanoparticles...
Paracetamol or acetaminophen is a medication commonly used in pain and fever. It is typically used for mild to moderate pain relief. It can produce selective inhibition to the prostaglandin synthesis. We envisage the density functional theory (DFT) with B3LYP/6-31G+(d,p) basis set to optimize the newly modified derivatives. Thermodynamic properties, molecular orbital features, dipole moment, atomic...
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