Spectroscopic investigation, DFT, NBO and TD-DFT calculation for porphyrin (PP) and porphyrin-based materials (PPBMs)
Mahmoud A.S. Sakr, Mohamed A. Saad
Topics & Concepts
Natural bond orbitalPorphyrinChemistryDensity functional theoryAlkoxy groupPhotochemistryComputational chemistryOrganic chemistryAlkylPorphyrin and Phthalocyanine ChemistryPhotodynamic Therapy Research StudiesFree Radicals and Antioxidants