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Publications by authors named "Daniel R Harper"

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Representations and strategies for transferable machine learning improve model performance in chemical discovery.
Daniel R Harper, Aditya Nandy, Naveen Arunachalam, Chenru Duan, Jon Paul Janet

J Chem Phys· February 2022


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Computational Scaling Relationships Predict Experimental Activity and Rate-Limiting Behavior in Homogeneous Water Oxidation.
Daniel R Harper, Heather J Kulik

Inorg Chem· January 2022


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Large-scale comparison of 3d and 4d transition metal complexes illuminates the reduced effect of exchange on second-row spin-state energetics.
Aditya Nandy, Daniel B K Chu, Daniel R Harper, Chenru Duan, Naveen Arunachalam

Phys Chem Chem Phys· September 2020


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