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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...

Ausführliche Beschreibung

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Bibliographische Detailangaben
Veröffentlicht in:Sci Rep
Hauptverfasser: Ojha, Deepak, Karhan, Kristof, Kühne, Thomas D.
Format: Artigo
Sprache:Inglês
Veröffentlicht: Nature Publishing Group UK 2018
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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