Palavra-chave: SOLVENT EFFECT

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