Palavra-chave: PSEUDOPOTENTIAL

METODO G3 G3(MP2)//B3 MÉTODO DA COORDENADA GERADORA ENTHALPY OF FORMATION G3 THEORY ISOMERIC IONS TIN AND ANTIMONY COMPOUNDS GENERATOR COORDINATE METHOD CCSD(T) SOLVENT EFFECT PROTON AFFINITY MÉTODOS COMPOSTOS COMPOSITE METHODS DENSITY FUNCTIONAL THEORY G3X THEORY G3(MP2)//B3-CEP W1 THEORY AB INITIO CALCULATIONS EXTRAPOLATION FORMULA G3CEP THEORY ELECTRON AFFINITY SPECTROSCOPIC PROPERTIES GAUSSIAN 3 AB INITIO UNIVERSAL BASIS SET G3(MP2)-CEP THEORY G3X(CCSD) PROPRIEDADES ATÔMICAS E MOLECULARES ENTALPIA DE FORMAÇÃO MONOCARBOXYLIC ACIDS BASIS SET G3(MP2)//B3 THEORY G4 THEORY TELURIUM COMPOUNDS INTERNAL ROTATIONAL BARRIER C6H6BR- GAUSSIAN BASIS SET VALENCE BASIS SET THERMOCHEMICAL PROPERTIES AB INITIO CALCULATION COMPOSITE THEORY PKA IONIZATION POTENTIAL