List of QCEXVAL contributions in 2020
2020 Openmolcas Developers’ e-Meeting – Max Planck Solid State Research
June 16th-19th, 2020. Stuttgart, Germany.
- Daniel Roca-Sanjuán. Oral Communication. “On the determination of molar absorptivities in condensed phases with multiconfigurational quantum chemistry”
- Miriam Navarrete-Miguel. Flash presentation after awarding her poster (7 out of 19 posters) for this purpose. “Photodynamic therapy with 4-thiouracil: A CASSCF/CASPT2 quantum chemistry study on its triplet population mechanism”
- Javier Carmona-García. Poster. “On the determination of sunlight absorption cross sections and photolysis yields of atmospheric Hg contaminants by multiconfigurational quantum chemistry”