Palavra-chave: QUANTUM CHEMISTRY

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