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• W3102363772 abstract "The interplay between intra-molecular H-O covalent bond contraction, due to molecular under-coordination, and inter-molecular O:H expansion, due to inter-electron pair Coulomb repulsion, has been shown to be the source of the anomalous behavior of under-coordinated water molecules in nanoclusters and in the surfaces of water. The shortening of the H-O bond raises the local density of bonding electrons, which in turn polarizes the lone pairs of electrons on oxygen. The stiffening of the H-O bond increases the magnitude of O1s binding energy shift, causes the blueshift of the H-O phonon frequencies, and furthermore, elevates the melting point of molecular clusters and ultrathin films of water, which gives rise to their ice-like behavior at room temperature. At the same time, the elongation of the entire O:H-O bond polarizes and enlarges the under-coordinated H$_2$O molecules." @default.
• W3102363772 created "2020-11-23" @default.
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• W3102363772 date "2013-07-23" @default.
• W3102363772 modified "2023-10-18" @default.
• W3102363772 title "Density, Elasticity, and Stability Anomalies of Water Molecules with Fewer than Four Neighbors" @default.
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• W3102363772 doi "https://doi.org/10.1021/jz401029z" @default.
• W3102363772 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/26704426" @default.
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