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On the Hydrogen Bond Strength and Vibrational Spectroscopy of Liquid Water
In the present work, we introduce two new metrics i.e. hydrogen-bond strength and charge-transfer between the donor/acceptor water molecules as a measure of hydrogen-bond rearrangement dynamics. Further, we also employ a simple model based on energy flux through the donor-acceptor water pairs to qua...
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| Veröffentlicht in: | Sci Rep |
|---|---|
| Hauptverfasser: | , , |
| Format: | Artigo |
| Sprache: | Inglês |
| Veröffentlicht: |
Nature Publishing Group UK
2018
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| Schlagworte: | |
| Online Zugang: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6237855/ https://ncbi.nlm.nih.gov/pubmed/30443040 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1038/s41598-018-35357-9 |
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