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Tetrahedrality, hydrogen bonding and the density anomaly of the central force water model. A Monte Carlo study*
Monte Carlo computer simulations in the canonical and grand canonical statistical ensemble were used to explore the properties of the central force (CF1) water model. The intramolecular structure of the H(2)O molecule is well reproduced by the model. Emphasis was made on hydrogen bonding, and on the...
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
2021
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8794338/ https://www.ncbi.nlm.nih.gov/pubmed/35095377 http://dx.doi.org/10.5488/CMP.24.33503 |