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Computational discovery of molecular C(60) encapsulants with an evolutionary algorithm
Computation is playing an increasing role in the discovery of materials, including supramolecular materials such as encapsulants. In this work, a function-led computational discovery using an evolutionary algorithm is used to find potential fullerene (C(60)) encapsulants within the chemical space of...
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Nature Publishing Group UK
2020
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9814092/ https://www.ncbi.nlm.nih.gov/pubmed/36703408 http://dx.doi.org/10.1038/s42004-020-0255-8 |