Solvation dynamics: improved reproduction of the time-dependent Stokes shift with polarizable empirical force field chromophore models
Author:
Affiliation:
1. University of Vienna
2. Faculty of Chemistry
3. Department of Computational Biological Chemistry
4. A-1090 Vienna
5. Austria
6. Department of Pharmaceutical Sciences
7. School of Pharmacy
8. University of Maryland
9. Baltimore
10. USA
Abstract
The inclusion of polarizability slows down the computed solvation dynamics due to interactions of induced dipoles, improving agreement to experiment.
Funder
Austrian Academy of Sciences
National Institutes of Health
Austrian Science Fund
Publisher
Royal Society of Chemistry (RSC)
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://pubs.rsc.org/en/content/articlepdf/2019/CP/C9CP03000J
Reference69 articles.
1. Theory of the time development of the stokes shift in polar media
2. Picosecond solvation dynamics of coumarin 153: The importance of molecular aspects of solvation
3. Computer simulations of solvation dynamics in acetonitrile
4. Solvation dynamics for an ion pair in a polar solvent: Time‐dependent fluorescence and photochemical charge transfer
5. The dynamics of solvation in polar liquids
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