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Published in 2019 at "ChemCatChem"
DOI: 10.1002/cctc.201900597
Abstract: The speed and precision of machine‐learning (ML) techniques in determining quantum chemical properties has resulted in a considerable computational speed up in comparison to traditional quantum chemical methods, and now allows a desired property of…
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Keywords:
quantum chemical;
chemical properties;
coupling genome;
cross ... See more keywords