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Structure Prediction for Surface-Induced Phases of Organic Monolayers: Overcoming the Combinatorial Bottleneck

[Image: see text] Structure determination and prediction pose a major challenge to computational material science, demanding efficient global structure search techniques tailored to identify promising and relevant candidates. A major bottleneck is the fact that due to the many combinatorial possibil...

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Detalhes bibliográficos
Publicado no:Nano Lett
Main Authors: Obersteiner, Veronika, Scherbela, Michael, Hörmann, Lukas, Wegner, Daniel, Hofmann, Oliver T.
Formato: Artigo
Idioma:Inglês
Publicado em: American Chemical Society 2017
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC5512157/
https://ncbi.nlm.nih.gov/pubmed/28640634
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.nanolett.7b01637
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