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Exploring Excited-State Electronic Structure, Spectroscopy, and Nonadiabatic Dynamics with CP2K’s Multifaceted Approach
Hanasaki, Kota, de Jong, Tjeerd Futaii, Komarov, Konstantin, Kumar, Ravi, Mališ, Momir, Mattiat, Johann, Hernandez-Segura, Luis Ignacio, Schreder, Lukas, Sinyavskiy, Andrey, Luber, Sandra
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Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (14.08.2025)
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Thermodynamic Description of Interfaces applying the 2PT method on ReaxFF Molecular Dynamics simulations
Jung, Christoph Karsten, Braunwarth, Laura, Sinyavskiy, Andrey, Jacob, Timo
Year of Publication 18.03.2021
Year of Publication 18.03.2021
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