Palavra-chave: VIBRATIONAL FREQUENCIES

CHEMOMETRIC ANALYSIS DENSITY FUNCTIONAL METHODS BCL3 ISOTOPICALLY SUBSTITUTED MOLECULAR ORBITAL METHODS DIHALOETHYLENES QUANTUM CHEMISTRY GENERATOR COORDINATE METHOD MOLECULAR ORBITALS THEORETICAL CALCULATIONS MOLYBDENUM OXO-DIPEROXO COMPOUNDS SCALE FACTOR FORCE CONSTANTS METHYL FLUORIDE XF2 MOLECULES INFRARED INTENSITIES SILANE METHANE METHYLENE FLUORIDE GEOMETRICAL PARAMETERS