Palavra-chave: QUANTUM CHEMISTRY

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