Palavra-chave: ENTHALPY OF FORMATION

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