Evaluating excited state atomic polarizabilities of chromophores
Author:
Affiliation:
1. University of Vienna, Faculty of Chemistry, Department of Computational Biological Chemistry
2. A-1090 Vienna
3. Austria
4. Department of Chemistry, Imperial College London
5. London
6. UK
Abstract
Ground and excited state atomic polarizabilities of the chromophoresN-methyl-6-oxyquinolinium betaine and coumarin 153 have been evaluatedviaquantum mechanics.
Funder
Austrian Academy of Sciences
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/2018/CP/C7CP08549D
Reference81 articles.
1. Excited state polarizabilities of conjugated molecules calculated using time dependent density functional theory
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3. The dynamics of solvation in polar liquids
4. Femtosecond solvation dynamics of water
5. Femtosecond to nanosecond solvation dynamics in pure water and inside the γ-cyclodextrin cavity
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