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Machine learning potential era of zeolite simulation
Zeolites, owing to their great variety and complexity in structure and wide applications in chemistry, have long been the hot topic in chemical research. This perspective first presents a short retrospect of theoretical investigations on zeolites using the tools from classical force fields to quantu...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
The Royal Society of Chemistry
2022
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9093109/ https://www.ncbi.nlm.nih.gov/pubmed/35655579 http://dx.doi.org/10.1039/d2sc01225a |