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Water dynamics: Relation between hydrogen bond bifurcations, molecular jumps, local density & hydrophobicity
Structure and dynamics of water remain a challenge. Resolving the properties of hydrogen bonding lies at the heart of this puzzle. We employ ab initio Molecular Dynamics (AIMD) simulations over a wide temperature range. The total simulation time was ≈ 2 ns. Both bulk water and water in the presence...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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Nature Publishing Group
2013
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3801114/ https://www.ncbi.nlm.nih.gov/pubmed/24141934 http://dx.doi.org/10.1038/srep02991 |