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pro vyhledávání: '"von Seggern, Börries"'
Nanodiamonds have a wide range of applications including catalysis, sensing, tribology and biomedicine. To leverage nanodiamond design via machine learning, we introduce the new dataset ND5k, consisting of 5,089 diamondoid and nanodiamond structures
Externí odkaz:
http://arxiv.org/abs/2210.07930
Publikováno v:
Journal of Chemical Theory & Computation; 7/25/2023, Vol. 19 Issue 14, p4461-4473, 13p