Palavra-chave: SEMIEMPIRICAL CALCULATION

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