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Ab initio theory and modeling of water
Water is of the utmost importance for life and technology. However, a genuinely predictive ab initio model of water has eluded scientists. We demonstrate that a fully ab initio approach, relying on the strongly constrained and appropriately normed (SCAN) density functional, provides such a descripti...
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| Publicado no: | Proc Natl Acad Sci U S A |
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| Main Authors: | , , , , , , , , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
National Academy of Sciences
2017
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5642722/ https://ncbi.nlm.nih.gov/pubmed/28973868 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1073/pnas.1712499114 |
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