Palavra-chave: SEMIEMPIRICAL CALCULATION

ELECTROCHROMISM PHOTOELECTROCHEMICAL CELL ENERGY CONVERSION SUPRAMOLECULAR ASSEMBLY SOLAR ENERGY LIGAND EXCHANGE ELECTRONIC STRUCTURE TRINUCLEAR CLUSTER PM3 RUTHENIUM DFT AM1 POLYSILSESQUIOXANES POLYSILOXANES ZINDO ELECTRON TRANSFER ELECTROCATALYTIC OXIDATION PROTON-COUPLED ELECTRON TRANSFER BIOLOGICAL ACTIVITY NITROSYL COMPLEX LANTHANIDE SPARKLE CRYSTAL STRUCTURE COPPER CARBON NANOTUBES MOLECULAR MECHANICS ELECTROCHEMICAL SENSOR REACTION MECHANISM SOLVENT EFFECT 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