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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...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
The Royal Society of Chemistry
2020
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| 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 |