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Updated: Jun 12, 2025

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Accurate predictions of chemical shifts with the rSCAN and r2SCAN mGGA exchange-correlation functionals

Jonathan R Yates1, Albert P Bartók2

  • 1Department of Materials, University of Oxford, Oxford OX1 3PH, UK. jonathan.yates@materials.ox.ac.uk.

Faraday Discussions
|September 18, 2024
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