From Molecular Fragments to the Bulk: Development of a Neural Network Potential for MOF-5

2019 | journal article. A publication with affiliation to the University of Göttingen.

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​From Molecular Fragments to the Bulk: Development of a Neural Network Potential for MOF-5​
Eckhoff, M. & Behler, J. ​ (2019) 
Journal of Chemical Theory and Computation, 15(6) pp. 3793​-3809​.​ DOI: https://doi.org/10.1021/acs.jctc.8b01288 

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Authors
Eckhoff, Marco; Behler, Jörg 
Issue Date
2019
Journal
Journal of Chemical Theory and Computation 
ISSN
1549-9618
eISSN
1549-9626
Language
English

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