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Quantum Calculations On Hydrogen Bonds In Certain Water Clusters Show Cooperative Effects
Water molecules in clefts and small clusters are in a significantly different environment than in bulk water. We have carried out ab initio calculations that demonstrate this in a series of clusters, showing that cooperative effects must be taken into account in the treatment of hydrogen bonds and w...
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| Hlavní autoři: | , |
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| Médium: | Artigo |
| Jazyk: | Inglês |
| Vydáno: |
2007
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| Témata: | |
| On-line přístup: | https://ncbi.nlm.nih.gov/pmc/articles/PMC2630244/ https://ncbi.nlm.nih.gov/pubmed/19169381 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ct600139d |
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