Palavra-chave: VIBRATIONAL FREQUENCIES

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