Electronic, geometrical and photophysical facets of five coordinated porphyrin N-heterocyclic carbene transition metals complexes: A theoretical study
Manjeet Kumar, Mursaleem Ansari, Azaj Ansari
Topics & Concepts
Natural bond orbitalCarbenePorphyrinTime-dependent density functional theoryChemistryPhotochemistryLigand (biochemistry)Transition metalAtomic orbitalMetalComputational chemistryDensity functional theoryCrystallographyChemical physicsElectronCatalysisOrganic chemistryPhysicsQuantum mechanicsBiochemistryReceptorPorphyrin and Phthalocyanine ChemistryCO2 Reduction Techniques and CatalystsMolecular Junctions and Nanostructures