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Authors: A. Omist, A. Cebreiro-Gallardo, M. Hugget, R. A. Boto, D. Casanova
Title: Magnetic Properties, Spin-Vibration Couplings, and Temperature Effects in Phenalenyl and Triangulene
Journal: J. Chem. Theory Comput.
Volume: 21
Pages: 1153-1162
Year: 2025
DOI: 10.1021/acs.jctc.4c01255
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Authors: A. Cárdenas, F. Lirette, J. M. Marín-Beloqui, A. Carreras, D. Casanova, J. Boismenu-Lavoie, J-F. Morin, J. Casado
Title: Folded–twisted mechanisms control dynamic redox properties, photophysics and electron transfer of anthanthrene-quinodimethanes
Journal: Chem. Sci.
Volume: 16
Pages: 1925-1931
Year: 2025
DOI: 10.1039/D4SC06442A
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Authors: M. Privado, S. Moles Quintero, M. Barrejón, P. de La Cruz, Janaarthana Babu P. M., D. Casanova, F. Langa, J. Casado
Title: Dibenzoquinone Cyclopentadithiophene Diradicaloids Show Optical Transitions of Different Spin States and Anomalous Near-Infrared Emission
Journal: Angew. Chem. Int. Ed.
Volume: 64
Pages: e202413988
Year: 2025
DOI: 10.1002/anie.202413988
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Authors: D. Silva-Brea, J. Aduriz-Arrizabalaga, D. De Sancho, X. Lopez
Title: Designing mimosine-containing peptides as efficient metal chelators: Insights from molecular dynamics and quantum calculations
Journal: Journal of Inorganic Biochemistry
Volume: 264
Pages: 112807
Year: 2025
DOI: 10.1016/j.jinorgbio.2024.112807
