Affiliation:
1. Department of Physics and Materials Science, University of Luxembourg, L-1511 Luxembourg City, Luxembourg
Abstract
Using the extended QM7-X dataset, it is shown that polarizabilty and HOMO–LUMO gap are uncorrelated in the chemical compound space. The lack of correlation enables the design of novel materials, demonstrated through organic photodetector candidates.
Funder
European Research Council
Alexander von Humboldt-Stiftung
Fonds National de la Recherche Luxembourg
Publisher
Royal Society of Chemistry (RSC)
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Cited by
4 articles.
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