Palavra-chave: SOLVENT EFFECT

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