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Authors
Warnau, Judith https://orcid.org/0000-0002-4450-7909
Wichmann, Karin https://orcid.org/0000-0001-5743-1141
Reinisch, Jens https://orcid.org/0000-0002-2817-1405
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Article History
Received: 24 February 2021
Accepted: 4 June 2021
First Online: 14 June 2021
Declarations
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: All authors are employed by Dassault Systemes Deutschland GmbH. Dassault Systemes commercially distributes the software (COSMOtherm, COSMOconf, COSMOquick and Turbomole) which was used to conduct the calculations for this manuscript. Apart from that, there are no conflicts of interests or competing interests.
