Palavra-chave: BASIS SET

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