Exchange Spin Coupling from Gaussian Process Regression
Author:
Affiliation:
1. Department of Chemistry, University of Hamburg, Martin-Luther-King-Platz 6, 20146 Hamburg, Germany
2. Institute of Physical Chemistry, Georg-August University, Tammannstr. 6, 37077 Göttingen, Germany
Funder
Deutsche Forschungsgemeinschaft
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.0c05983
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1. Computational Approach to Molecular Catalysis by 3d Transition Metals: Challenges and Opportunities
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