Density functional theory and machine learning for electrochemical square-scheme prediction: an application to quinone-type molecules relevant to redox flow batteries

Hashemi, Arsalan (author)

Department of Chemistry and Material Science, School of Chemical Engineering, Aalto University, 02150 Espoo, Finland

Khakpour, Reza (author)

Department of Chemistry and Material Science, School of Chemical Engineering, Aalto University, 02150 Espoo, Finland

Mahdian, Amir (author)

Department of Chemistry and Material Science, School of Chemical Engineering, Aalto University, 02150 Espoo, Finland

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Busch, Michael (author)

Institute of Theoretical Chemistry, Ulm University, Albert-Einstein Allee 11, 89069 Ulm, Germany

Peljo, Pekka (author)

Research Group of Battery Materials and Technologies, Department of Mechanical and Materials Engineering, Faculty of Technology, University of Turku, 20014 Turun Yliopisto, Finland

Laasonen, Kari (author)

Department of Chemistry and Material Science, School of Chemical Engineering, Aalto University, 02150 Espoo, Finland

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 (creator_code:org_t)

2023

2023

English.

In: Digital Discovery. - 2635-098X. ; 2:5, s. 1565-1576

Related links:

https://urn.kb.se/re...

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https://doi.org/10.1...

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• Journal article (peer-reviewed)