Cristina Puzzarini

https://site.unibo.it/rotational-computational-spectroscopy

Bridging the gap between theory and experiment

The interplay between experiment and theory plays a pivotal role in our research field. Several are the challenging aspects in high-resolution molecular spectroscopy, since the detection and analysis of spectra as well as interpretation of obtained results are not at all straightforward. Quantum chemistry has reached such an accuracy that can be used to disentangle these challenging situations by guiding the experimental investigation, assisting in the determination of the spectroscopic parameters, and extracting information of chemical interest. On the other hand, thanks to the intrinsic high resolution of rotational spectroscopy, experimental data are well suited for benchmarking theoretical calculations and/or new method implementations.