ArticleScientific reports2016
Hydrogen-bond potential for ice VIII-X phase transition.
Article in Scientific reports, 2016. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 2 papers.
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Who cites it
2 citing papers in PubMed.
- Short hydrogen bonds enhance nonaromatic protein-related fluorescence.Proceedings of the National Academy of Sciences of the United States of America · 2021Article
- Natural deep eutectic systems for nature-inspired cryopreservation of cells.AIChE journal. American Institute of Chemical Engineers · 2021Article
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Authors and funding
3 authors.
Funding
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Abstract
Repulsive force between the O-H bonding electrons and the O:H nonbonding pair within hydrogen bond (O-H:O) is an often overlooked interaction which dictates the extraordinary recoverability and sensitivity of water and ice. Here, we present a potential model for this hidden force opposing ice compression of ice VIII-X phase transition based on the density functional theory (DFT) and neutron scattering observations. We consider the H-O bond covalent force, the O:H nonbond dispersion force, and the hidden force to approach equilibrium under compression. Due to the charge polarization within the O:H-O bond, the curvatures of the H-O bond and the O:H nonbond potentials show opposite sign before transition, resulting in the asymmetric relaxation of H-O and O:H (O:H contraction and H-O elongation) and the H
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