Palavra-chave: VIBRATIONAL FREQUENCIES

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