Department College of Science
Title professor
Visitor Count 1404
Research Project
Spectroscopy studies allow investigations of molecular system properties in deep detail, but they do not give direct access to molecular structure and dynamics and the interpretation of the rich indirect information that can be inferred from the analysis of the experimental spectra is seldom straightforward even for simple molecules in the gas phase. Moreover, spectroscopic properties typically depend on the subtle interplay of several different effects, whose specific roles are not easy to separate and evaluate. Such complications are even more pronounced for complex molecular systems of biological or technological interest. Computational spectroscopy represents a fundamental tool for the assignment and interpretation of experimental spectra, bridging the gap between sophisticated experimental techniques and often over-simplified analysis characterised by low precision and high risk of biased interpretation.