Ab initiostudy of the one-dimensional H-bonded ferroelectricCsH2PO4
نویسندگان
چکیده
منابع مشابه
One-dimensional Hydrogen-bonded Chloride-Hydrate Assembly {[(H2O)4Cl2]}∞
A hydrogen-bonded chloride-hydrate assembly {[(H2O)4Cl2]2−}∞ has been ion-countered by the complex cations [Fe([9]aneS3)2] ([9]aneS3 = 1,4,7-trithiacyclononane). In {[(H2O)4Cl2]2−}∞, four water molecules and two chloride ions are self-assembled to form a one-dimensional supramolecular array of O–H· · ·O and O–H· · ·Cl hydrogen bonding, which consists of fused fourand six-membered rings. The dis...
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The one-dimensional model of Lippincott and Schroeder for hydrogen bond has Been re-examined and it has been shown that O-H bond distance depends on repulsive van der Waals and attractive electrostatic potentials.it has been shown that constant b in the van der Waals repulsion potential is not transferable to all hydrogen bonds. The possibility of obtaining the semi-empircal parameters i...
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ژورنال
عنوان ژورنال: Physical Review B
سال: 2016
ISSN: 2469-9950,2469-9969
DOI: 10.1103/physrevb.93.134112