Photochemistry: Volume 50
Quantum chemistry of the excited state: advances in 2020–2021
Published:09 Dec 2022
Special Collection: 2022 ebook collectionSPR: SPR - Photochemistry
Juliana Cuéllar-Zuquin, Javier Carmona-García, Miriam Navarrete-Miguel, Luis Cerdán, Antonio Francés-Monerris, Angelo Giussani, Javier Segarra-Martí, Daniel Roca-Sanjuán, 2022. "Quantum chemistry of the excited state: advances in 2020–2021", Photochemistry: Volume 50, Stefano Crespi, Stefano Protti
Download citation file:
Research on excited-state chemistry using multiconfigurational quantum chemistry (MQC) allows deep analyses of the involved electronic-structure transformations. Overview of the published bibliography in the 2020 and 2021 period shows predominant MQC research on biomedicine and materials science. Significant work on method developments has been also carried out, and applications in atmospheric chemistry are gaining interest as compared to previous years. Topics that are representative of the progress, and are revised herein, are methodology developments for more realistic predictions of UV/Vis absorption and emission spectra, sunlight chemistry on atmospheric modelling, DNA photostability and photosensitisation, DNA reactivity by ionising radiation, chemiluminescence and self-illuminating photosensitisation, DNA repair mechanisms and quantum computing applications in photochemistry.