Palavra-chave: SOLVENT EFFECT

RUTHENIUM PENTACYANIDE COMPLEX GIBBS FREE ENERGY MONOCARBOXYLIC ACIDS IRON FUNCTIONAL MONOMER UV-VIS SPECTRUM DIRECT METHOD DIELS-ALDER MECHANISM KINETIC AND THERMODYNAMIC COMPETITION LIGAND FIELD THEORY CHEMODOSIMETERS PSEUDOPOTENTIAL DFT FUNCTIONAL MONOMER PYRIDINIUM N-PHENOLATE DYES HETEROCYCLIC N-DONOR LIGAND METALLOPOLYMER LIGAND EXCHANGE MOLECULARLY IMPRINTED POLYMER PKA CALCULATION TD-DFT ELECTRON TRANSFER MOLECULAR MODELING TRINUCLEAR CLUSTER ELECTRONIC STRUCTURE INTERNAL REACTION COORDINATE SILVER NANOPARTICLES SILVER PRUSSIAN BLUE ANALOGUE SUPRAMOLECULAR ASSEMBLY SEMIEMPIRICAL CALCULATION ELECTROCATALYTIC OXIDATION COMPOSITE METHODS REACTION MECHANISM CASSCF DINUCLEAR CLUSTER PKA