Palavra-chave: BASIS SET

ENTHALPY OF FORMATION HARTREE-FOCK-ROOTHAAN TIN AND ANTIMONY COMPOUNDS GENERATOR COORDINATE METHOD COMPOSITE METHODS DENSITY FUNCTIONAL THEORY G3(MP2)//B3-CEP QUADRATIC CONFIGURATION INTERACTION ELECTRONIC STRUCTURE POLYCARBONITRILE INTEGRAL TRANSFORM INFRARED FUNDAMENTAL INTENSITIES EFFECTIVE CORE POTENTIAL AB INITIO ESPECTROSCOPIA VAN DER WAALS STRUCTURAL STABILITY COUPLED CLUSTER LINEAR RESPONSE THEORY PSEUDOPOTENTIAL MOLLER-PLESSET PERTURBATION RAMAN SPECTROSCOPY