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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...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Nature Publishing Group UK
2018
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6237855/ https://www.ncbi.nlm.nih.gov/pubmed/30443040 http://dx.doi.org/10.1038/s41598-018-35357-9 |