Palavra-chave: ATOMIC CHARGES

IONIZATION ENERGY ATOMIC ANISOTROPY ELECTRONEGATIVITY MODELS POLARIZATION QTAIM CCTDP 1S ELECTRON ENERGIES QTAIM HALOMETHANES ATOMIC DIPOLES DIPOLE MOMENT DERIVATIVES PROTON AFFINITIES CORE ELECTRON ENERGIES INFRARED SPECTROSCOPY ATOMIC POLAR TENSOR AB INITIO ESCA CORE IONIZATION ENERGIES POLAR TENSORS DERIVADAS DO MOMENTO DIPOLAR CHELPG INFRARED INTENSITY ELECTRONEGATIVITIES ATOMIC POLAR TENSORS ALLENE XPS POLAR TENSOR INFRARED INTENSITIES