DFT computational study towards investigating psychotropic drugs, promazine and trifluoperazine adsorption on graphene, fullerene and carbon cyclic ring nanoclusters
Aljawhara H. Almuqrin, Jamelah S. Al‐Otaibi, Y. Sheena Mary, Y. Sheena Mary, Y. Shyma Mary, Y. Shyma Mary
Topics & Concepts
ChemistryNatural bond orbitalGrapheneAntibonding molecular orbitalComputational chemistryTrifluoperazineDensity functional theoryNanoclustersDelocalized electronMoleculeAtomic orbitalChemical physicsNanotechnologyOrganic chemistryElectronMaterials scienceCalmodulinQuantum mechanicsPhysicsCalciumFullerene Chemistry and ApplicationsNonlinear Optical Materials ResearchPhenothiazines and Benzothiazines Synthesis and Activities