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Theoretical Chemistry of Unbound Electrons

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Embedded equation-of-motion coupled-cluster theory for electronic excitation, ionisation, electron attachment, and electronic resonances

Author(s): Valentina Parravicini; Thomas-C. Jagau
Published in: Molecular Physics, 119, 2021, Page(s) e1943029, ISSN 0026-8976
Publisher: Taylor & Francis
DOI: 10.1080/00268976.2021.1943029

Computational insights into electrochemical cross‐coupling of quaternary borate salts

Author(s): Florian Matz; Arif Music; Dorian Didier; Thomas‐C. Jagau
Published in: Electrochemical Science Advances, 1, 2021, Page(s) e2100032, ISSN 2698-5977
Publisher: John Wiley & Sons Ltd.
DOI: 10.1002/elsa.202100032

Photocatalyzed Transition-Metal-Free Oxidative Cross-Coupling Reactions of Tetraorganoborates*.

Author(s): Arif Music; Andreas N. Baumann; Florian Boser; Nicolas Müller; Florian Matz; Thomas Christian Jagau; Dorian Didier
Published in: Chemistry – A European Journal, 27, 2021, Page(s) 4322-4326, ISSN 0947-6539
Publisher: John Wiley & Sons Ltd.
DOI: 10.1002/chem.202005282