Palavra-chave: BASIS SET

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