Exploring chemical space in the search for improved azoheteroarene-based photoswitches
Author:
Affiliation:
1. Institute of Chemical Sciences and Engineering
2. École Polytechnique Fédérale de Lausanne (EPFL)
3. Laboratory for Computational Molecular Design
4. CH-1015 Lausanne
5. Switzerland
Abstract
A computational screening of azoheteroarenes identifies good candidates and provides guidelines on how to tune their performance through chemical substitution.
Funder
H2020 Marie Skłodowska-Curie Actions
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/C9CP03831K
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