Elucidating atmospheric brown carbon - Supplanting chemical intuition with exhaustive enumeration and machine learning

Published January 15, 2021 | Version v1

Journal article Open

1. Department of Chemistry and Biochemistry, California State University, Long Beach, 1250 Bellflower Boulevard, Long Beach, CA, 90840, USA
2. University of Vienna, Faculty of Physics, Kolingasse 14-16, AT-1090 Wien, Austria, and Institute of Physical Chemistry and National Center for Computational Design and Discovery of Novel Materials (MARVEL), Department of Chemistry, University of Basel, Klingelbergstrasse 80, CH-4056 Basel, Switzerland
3. Department of Chemistry and Biochemistry, University of San Diego, 5998 Alcala Park, San Diego, CA, 92110, USA
4. Universidad de Buenos Aires, Facultad de Farmacia y Bioquímica, Departamento de Química Analitica y Fisicoquímica
5. Université Lyon, Université Claude Bernard Lyon 1, CNRS, IRCELYON, 69626 Villeurbanne, France

Stable molecules found in the exhaustive enumeration of atmospheric brown carbon candidate molecules matching an experimental spectrum.

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