Palavra-chave: ENTHALPY OF FORMATION

VIBRATIONAL SCALING FACTOR BIODIESEL PROTON AFFINITY FATTY ACIDS SELECTIVE SCALING CBS-QB3 EXTRAPOLATION FORMULAS BASIS SET TIN AND ANTIMONY COMPOUNDS G3 THEORY ESTERS G3(MP2)//B3-CEP DENSITY FUNCTIONAL THEORY PSEUDOPOTENCIAL AMIDATION IONIZATION POTENTIAL ELECTRON AFFINITY COMPOSITE METHODS IONIZATION ENERGIES NUMERICAL DERIVATIVES PSEUDOPOTENTIAL G4 THEORY G3X THEORY TAYLOR SERIES FORMULAS B3LYP EMPIRICAL CORRECTIONS CALORIMETRY SURFACTANT NUMERICAL METHODS PALMITIC ACID DMAPA