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High-Density “Windowpane” Coordination Patterns of Water Clusters and Their NBO/NRT Characterization
Cluster mixture models for liquid water at higher pressures suggest the need for water clusters of higher coordination and density than those commonly based on tetrahedral H-bonding motifs. We show here how proton-ordered water clusters of increased coordination and density can assemble from a start...
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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MDPI
2022
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9268199/ https://www.ncbi.nlm.nih.gov/pubmed/35807463 http://dx.doi.org/10.3390/molecules27134218 |