Parametrization of Nonbonded Force Field Terms for Metal-Organic Frameworks Using Machine Learning Approach - researchr publication

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Vadim Korolev, Yuriy M. Nevolin, Thomas A. Manz, Pavel V. Protsenko. Parametrization of Nonbonded Force Field Terms for Metal-Organic Frameworks Using Machine Learning Approach. Journal of Chemical Information and Computer Sciences, 61(12):5774-5784, 2021. [doi]

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