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Distinguishing Metal–Organic Frameworks

[Image: see text] We consider two metal–organic frameworks as identical if they share the same bond network respecting the atom types. An algorithm is presented that decides whether two metal–organic frameworks are the same. It is based on distinguishing structures by comparing a set of descriptors...

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Detalhes bibliográficos
Publicado no:Cryst Growth Des
Main Authors: Barthel, Senja, Alexandrov, Eugeny V., Proserpio, Davide M., Smit, Berend
Formato: Artigo
Idioma:Inglês
Publicado em: American Chemical Society 2018
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC5843951/
https://ncbi.nlm.nih.gov/pubmed/29541002
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.cgd.7b01663
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