Elucidating the Role of Hydrogen Bonding in the Optical Spectroscopy of the Solvated Green Fluorescent Protein Chromophore: Using Machine Learning to Establish the Importance of High-Level Electronic Structure

Hydrogen bonding interactions with chromophores in chemical and biological environments play a key role in determining their electronic absorption and relaxation processes, which are manifested in their linear and multidimensional optical spectra. For chromophores in the condensed phase, the large n...

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Veröffentlicht in:The journal of physical chemistry letters 2023-07, Vol.14 (29), p.6610-6619
Hauptverfasser: Chen, Michael S., Mao, Yuezhi, Snider, Andrew, Gupta, Prachi, Montoya-Castillo, Andrés, Zuehlsdorff, Tim J., Isborn, Christine M., Markland, Thomas E.
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Sprache:eng
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