Density Matrix-Based Features as Descriptors for Oxygen Reduction and Evolution Catalysts

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Secor, Maxim, Soudackov, Alexander V., Hammes-Schiffer, Sharon. 2023-07-31. Density Matrix-Based Features as Descriptors for Oxygen Reduction and Evolution Catalysts. https://doi.org/10.1021/acs.jpcc.3c03392

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