Q-Chem Webinar

Abstract

In this workshop tutorial, Anna Krylov (USC) discusses computational spectroscopy techniques in Q-Chem. Topics covered include vibrational spectroscopy (such as IR, Raman, and VCD), vibronic spectra, and electronic spectroscopies within the UV/Vis and X-ray domains. The exercise materials for this workshop tutorial can be found here.

This talk was given as part of the Q-Chem Workshop in the 2024 Virtual Winter School on Computational Chemistry and is reposted with permission.