Palavra-chave: QUANTUM CHEMISTRY

DIFLUOROETHYLENE CHEMOMETRIC ANALYSIS QTAIM METHYL FLUORIDE FREQÜÊNCIAS VIBRACIONAIS INTENSIDADES DE BANDAS ROTO-VIBRACIONAIS ANTIMALARIAL ACTIVITY SCALE FACTOR QTAIM/CCFDF MODEL DICHLOROETHYLENE MOLECULAR ORBITAL SOFTWARE MATHEMATICA COMPUTATIONAL LANGUAGE VIBRATIONAL FREQUENCIES FACTORIAL DESIGN ESPECTROSCOPIA ROTO-VIBRACIONAL DIPOLE MOMENT DERIVATIVES INFRARED INTENSITIES STRUCTURE-ACTIVITY RELATIONSHIPS ARTEMISININ HYDROGEN BOND MOLECULAR DOCKING QSAR AND FENARIMOL