2024 VWSCC: Session 2 — Computational Spectroscopy
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. This workshop session is paired with a lab exercise, available here: https://drive.google.com/drive/u/0/fo... This talk was given as part of the Q-Chem Workshop in the 2024 Virtual Winter School In Computational Chemistry (https://winterschool.cc/program-2024/...) and is reposted with permission.
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VWSCC 2024: Session 3 — Energy Decomposition Analysis
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