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Liquid water is a dynamic polydisperse branched polymer
We developed the RexPoN force field for water based entirely on quantum mechanics. It predicts the properties of water extremely accurately, with T(melt) = 273.3 K (273.15 K) and properties at 298 K: ΔH(vap) = 10.36 kcal/mol (10.52), density = 0.9965 g/cm(3) (0.9965), entropy = 68.4 J/mol/K (69.9),...
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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
2019
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6369747/ https://ncbi.nlm.nih.gov/pubmed/30679278 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1073/pnas.1817383116 |
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