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• W2051263707 abstract "The time-dependent fluorescence of a model dye molecule in a nanoconfined solvent is used to test approximations based on the dynamic and static linear-response theories and the assumption of Gaussian statistics. Specifically, the results of nonequilibrium molecular-dynamics simulations are compared to approximate expressions involving time correlation functions obtained from equilibrium simulations. Solvation dynamics of a model diatomic dye molecule dissolved in acetonitrile confined in a spherical hydrophobic cavity of radius 12, 15, and 20 Å is used as the test case. Both the time-dependent fluorescence energy, expressed as the normalized dynamic Stokes shift, and the time-dependent position of the dye molecule after excitation are examined. While the dynamic linear-response approximation fails to describe key aspects of the solvation dynamics, assuming Gaussian statistics reproduces the full nonequilibrium simulations well. The implications of these results are discussed." @default.
• W2051263707 created "2016-06-24" @default.
• W2051263707 creator A5050040176 @default.
• W2051263707 creator A5050379603 @default.
• W2051263707 date "2011-08-26" @default.
• W2051263707 modified "2023-09-27" @default.
• W2051263707 title "Time-dependent fluorescence in nanoconfined solvents: Linear-response approximations and Gaussian statistics" @default.
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• W2051263707 doi "https://doi.org/10.1063/1.3626825" @default.
• W2051263707 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/21895203" @default.
• W2051263707 hasPublicationYear "2011" @default.
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