Palavra-chave: SEMIEMPIRICAL CALCULATION

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