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"Benchmark study on deep neural network potentials for small organic molecules."
Rohit Modee, Siddhartha Laghuvarapu, U. Deva Priyakumar (2022)
- Rohit Modee
, Siddhartha Laghuvarapu
, U. Deva Priyakumar
:
Benchmark study on deep neural network potentials for small organic molecules. J. Comput. Chem. 43(5): 308-318 (2022)
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