Palavra-chave: SEMIEMPIRICAL CALCULATION

ELECTROCHROMISM SUPRAMOLECULAR ASSEMBLY ENERGY CONVERSION PHOTOELECTROCHEMICAL CELL SOLAR ENERGY PM3 ELECTRONIC STRUCTURE LIGAND EXCHANGE RUTHENIUM TRINUCLEAR CLUSTER AM1 POLYSILOXANES POLYSILSESQUIOXANES DFT ZINDO ELECTRON TRANSFER PROTON-COUPLED ELECTRON TRANSFER ELECTROCATALYTIC OXIDATION NITROSYL COMPLEX BIOLOGICAL ACTIVITY LANTHANIDE SPARKLE CRYSTAL STRUCTURE COPPER CARBON NANOTUBES ELECTROCHEMICAL SENSOR MOLECULAR MECHANICS SOLVENT EFFECT REACTION MECHANISM DINUCLEAR CLUSTER PORPHYRIN HETEROCYCLIC N-DONOR LIGAND RHODIUM CALIXARENE TAUTOMERISM PLATINUM CATALYTIC OXIDATION DRUG DELIVERY LIGAND DESIGN COBALT IRON CADMIUM PENTACYANIDE COMPLEX PRUSSIAN BLUE ANALOGUE LUMINESCENT SENSOR