Palavra-chave: LIGAND DESIGN

SEMIEMPIRICAL CALCULATION TRINUCLEAR CLUSTER CLICK REACTION CATALYTIC OXIDATION LIGAND FIELD THEORY ELECTRON TRANSFER HETEROCYCLIC N-DONOR LIGAND CRYSTAL STRUCTURE ASYMMETRIC CATALYSIS MIL-101 BIOLOGICAL ACTIVITY NICKEL CASSCF PHOTOELECTROCHEMICAL CELL ZINC ELECTRONIC STRUCTURE IRON SPIN CROSSOVER PROTON-COUPLED ELECTRON TRANSFER MANGANESE PENTACYANIDE COMPLEX COBALT ELECTROCATALYTIC OXIDATION ORGANIC SYNTHESIS COPPER HETEROBIMETALLIC COMPLEXES CHROMIUM DINUCLEAR CLUSTER WATER OXIDATION SUPRAMOLECULAR ASSEMBLY DFT GOLD REACTION MECHANISM ENERGY CONVERSION PM3 MOF RUTHENIUM WATER SPLITTING PORPHYRIN ARTIFICIAL PHOTOSYNTHESIS