Chemical-physical methods for atmospheric chemistry and astrochemistry

The course deals with the theoretical-computational approaches for the prediction of the spectroscopic properties and reaction mechanisms of molecular systems of interest in environmental chemistry, with particular reference to atmospheric chemistry, and astrochemistry. Concerning the spectroscopic properties, attention will be focused on rotational and vibrational spectroscopies for which the computational protocols for determining the observables of interest will be presented. Concerning the modeling of reactivity, the course will focus on the study of reaction mechanisms and on the application of computational strategies for determining the thermochemical data and kinetic rate constants of the elementary reactions that constitute them. Attention will be focused on processes occurring both in the gas phase and at the gas-solid interface.