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• W2912606268 endingPage "5758" @default.
• W2912606268 startingPage "5744" @default.
• W2912606268 abstract "We studied microhydrated calcium fluoride, calcium carbonate and their ions at the MP2/6-311++G** level of theory and found that water–water non-covalent interactions destabilize the solvation shell, and are compensated by cooperative hydrogen bonds." @default.
• W2912606268 created "2019-02-21" @default.
• W2912606268 creator A5009070207 @default.
• W2912606268 creator A5059447857 @default.
• W2912606268 date "2019-01-01" @default.
• W2912606268 modified "2023-10-18" @default.
• W2912606268 title "<i>Ab initio</i> calculations and reduced density gradient analyses of the structure and energetics of hydrated calcium fluoride and calcium carbonate" @default.
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• W2912606268 doi "https://doi.org/10.1039/c8cp06353b" @default.
• W2912606268 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/30801582" @default.
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