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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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Detalhes bibliográficos
Publicado no:Chem Sci
Main Authors: Cheng, Chi Y., Campbell, Josh E., Day, Graeme M.
Formato: Artigo
Idioma:Inglês
Publicado em: The Royal Society of Chemistry 2020
Assuntos:
Acesso em linha: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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