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Evolutionary chemical space exploration for functional materials: computational organic semiconductor discovery

Computational methods, including crystal structure and property prediction, have the potential to accelerate the materials discovery process by enabling structure prediction and screening of possible molecular building blocks prior to their synthesis. However, the discovery of new functional molecul...

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Detalles Bibliográficos
Publicado en:Chem Sci
Main Authors: Cheng, Chi Y., Campbell, Josh E., Day, Graeme M.
Formato: Artigo
Idioma:Inglês
Publicado: The Royal Society of Chemistry 2020
Assuntos:
Acceso en liña:https://ncbi.nlm.nih.gov/pmc/articles/PMC8159259/
https://ncbi.nlm.nih.gov/pubmed/34122948
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1039/d0sc00554a
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