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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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Bibliografski detalji
Izdano u:Cryst Growth Des
Glavni autori: Barthel, Senja, Alexandrov, Eugeny V., Proserpio, Davide M., Smit, Berend
Format: Artigo
Jezik:Inglês
Izdano: American Chemical Society 2018
Online pristup: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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