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Multi-objective de novo molecular design of organic structure-directing agents for zeolites using nature-inspired ant colony optimization

Organic structure-directing agents (OSDAs) are often employed for synthesis of zeolites with desired frameworks. A priori prediction of such OSDAs has mainly relied on the interaction energies between OSDAs and zeolite frameworks, without cost considerations. For practical purposes, the cost of OSDA...

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Detalles Bibliográficos
Autores principales: Muraoka, Koki, Chaikittisilp, Watcharop, Okubo, Tatsuya
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2020
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8163217/
https://www.ncbi.nlm.nih.gov/pubmed/34094176
http://dx.doi.org/10.1039/d0sc03075a