Palavra-chave: TRINUCLEAR CLUSTER

NITROSYL COMPLEX ELECTRON TRANSFER ZINDO RUTHENIUM ELECTRONIC STRUCTURE ELECTROCATALYTIC OXIDATION ENERGY CONVERSION PROTON-COUPLED ELECTRON TRANSFER PM3 LIGAND EXCHANGE SEMIEMPIRICAL CALCULATION SUPRAMOLECULAR ASSEMBLY PHOTOELECTROCHEMICAL CELL PORPHYRIN NICKEL COBALT IRON CHROMIUM MIL-101 MOF DRUG DELIVERY CRYSTAL STRUCTURE DFT CATALYTIC OXIDATION MANGANESE MOLECULAR MECHANICS SOLVENT EFFECT PRUSSIAN BLUE ANALOGUE PENTACYANIDE COMPLEX LIGAND DESIGN HETEROCYCLIC N-DONOR LIGAND CASSCF IBUPROFEN NIMESULIDE