Palavra-chave: REACTION MECHANISM

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