Outlook

Through the three examples presented above, we have tried to show what answers computational chemistry can provide to the big questions of space chemistry. Moreover, the precision achieved today by quantum chemical computational methods in the field of molecular observables makes these methods sufficiently reliable to be used, not only for interpreting the results of observations already known within the framework of existing theories, but also for predicting the results of observations not yet carried out, and this sometimes at a lower cost. This is particularly true in the field of astrochemistry, where it is not always possible to undertake the corresponding laboratory experiments due to the extreme temperature and pressure conditions prevailing in interstellar media, and the species involved. Calculations of spectral signatures have become sufficiently accurate to simulate observations...