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An evolutionary algorithm for the discovery of porous organic cages

The chemical and structural space of possible molecular materials is enormous, as they can, in principle, be built from any combination of organic building blocks. Here we have developed an evolutionary algorithm (EA) that can assist in the efficient exploration of chemical space for molecular mater...

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Bibliografski detalji
Izdano u:Chem Sci
Glavni autori: Berardo, Enrico, Turcani, Lukas, Miklitz, Marcin, Jelfs, Kim E.
Format: Artigo
Jezik:Inglês
Izdano: Royal Society of Chemistry 2018
Teme:
Online pristup:https://ncbi.nlm.nih.gov/pmc/articles/PMC6251339/
https://ncbi.nlm.nih.gov/pubmed/30568775
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1039/c8sc03560a
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