Palavra-chave: MOLECULAR MECHANICS

SEMIEMPIRICAL CALCULATION TRINUCLEAR CLUSTER CRYSTAL STRUCTURE HETEROCYCLIC N-DONOR LIGAND SEMIEMPIRICAL ELECTRONIC STRUCTURE IRON ELECTROCATALYTIC OXIDATION COPPER AB INITIO PYRROLIZIDINE ALKALOIDS ELECTROCHEMICAL SENSOR SUPRAMOLECULAR ASSEMBLY DFT PM3 RUTHENIUM CARBON NANOTUBES ZINDO PLATINUM PORPHYRIN