Palavra-chave: REACTION MECHANISM

SEMIEMPIRICAL CALCULATION CATALYTIC OXIDATION ELECTRON TRANSFER HETEROCYCLIC N-DONOR LIGAND SOLVENT EFFECT LIGAND EXCHANGE ACTINIDES BIOLOGICAL ACTIVITY AMERICIUM CASSCF ISOCONVERSIONAL METHODS LIGAND DESIGN ELECTRONIC STRUCTURE THERMOGRAVIMETRIC ANALYSIS PROTON-COUPLED ELECTRON TRANSFER ELECTROCATALYTIC OXIDATION COPPER MOLYBDENUM DINUCLEAR CLUSTER HYDROLYSIS AB INITIO ELECTROSPRAY MASS SPECTROMETRY WATER OXIDATION KINETIC COMPENSATION EFFECT DFT ENSITY FUNCTIONAL THEORY PYROLYSIS BEHAVIOR ENERGY CONVERSION PM3 RUTHENIUM STILLE REACTION