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Eigencages: Learning a Latent Space of Porous Cage Molecules

[Image: see text] Porous organic cage molecules harbor nanosized cavities that can selectively adsorb gas molecules, lending them applications in separations and sensing. The geometry of the cavity strongly influences their adsorptive selectivity. For comparing cages and predicting their adsorption...

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Detalles Bibliográficos
Autores principales:	Sturluson, Arni, Huynh, Melanie T., York, Arthur H. P., Simon, Cory M.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	American Chemical Society 2018
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6311689/ https://www.ncbi.nlm.nih.gov/pubmed/30648150 http://dx.doi.org/10.1021/acscentsci.8b00638

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