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A Benchmark Protocol for DFT Approaches and Data-Driven Models for Halide-Water Clusters
Dissolved ions in aqueous media are ubiquitous in many physicochemical processes, with a direct impact on research fields, such as chemistry, climate, biology, and industry. Ions play a crucial role in the structure of the surrounding network of water molecules as they can either weaken or strengthe...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
MDPI
2022
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8924895/ https://www.ncbi.nlm.nih.gov/pubmed/35268757 http://dx.doi.org/10.3390/molecules27051654 |