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    Hydrogen bond interactions of coumarin-153 in molecular solvents: molecular dynamics and principal component analysis

    Hydrogen bond interactions of coumarin-153 in molecular solvents: molecular dynamics and principal component analysis by Goloviznina, Kateryna, Dudariev, Dmytro, Miannay, François-Alexandre,  Kalugin, Oleg, Koverga, Volodymyr, Takamuku, Toshiyuki, Vitale, Raffaele, Idrissi, Abdenacer

    Published 2024-10-01

    Hydrogen bond interactions significantly affect the coumarin-153’s (C153) photophysics, including its ability to act as a donor of weak hydrogen bonds via its 14 C–H bonds and as an acceptor via its O atoms in the ester and the carbonyl groups, as well as via its F atom in the trifluoromethyl group....

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