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From Molecular Fragments to the Bulk: Development of a Neural Network Potential for MOF-5
Eckhoff, Marco, Behler, JörgLanguage:
english
Journal:
Journal of Chemical Theory and Computation
DOI:
10.1021/acs.jctc.8b01288
Date:
May, 2019
File:
PDF, 6.90 MB
english, 2019