The Research Unit of Theoretical Chemistry applies calculation systems taking advantage of innovative infrastructures (including a work station IBM RISC/6000 397and a work station Compaq Alpha ds20e/667) on the following topics:

•·        Theoretical models and calculation methods for the excitations and dynamics of small molecules.

•·        Calculating of spectroscopic dynamic properties of elementary processes of astrochemical, combustion, and atmospheric, the spectroscopy of NH2 XÀ"<->AÀ' and the study of the reactive collisions.