Palavra-chave: VIBRATIONAL FREQUENCIES

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