Palavra-chave: HYDROGEN BOND

MULTIVARIATE ANALYSIS DIMERS QSAR KOOPMANS´ENERGY ELECTROSTATIC POTENTIAL AB INITIO WATER DIMER CHARGE-CHARGE FLUX-DIPOLE FLUX HF DIMER WATER TRIMER QTAIM/CCFDF INFRARED INTENSITIES B3LYP DENSITY FUNCTIONAL CALCULATION CHEMOMETRICS ACETOGNINS POLARIZATION CHARGE TRANSFER MOLECULAR ORBITAL FREQÜÊNCIAS VIBRACIONAIS QUANTUM CHEMISTRY