Article ID Journal Published Year Pages File Type
5412403 Journal of Molecular Liquids 2011 5 Pages PDF
Abstract
►Simulation study on hydration and hydrogen-bonding of OH in high temperature water is presented. ►For the first time flexible models of solution components are employed. ►Non-meaningless role of short-range interaction of hydrogen atoms is indicated. ►The number of H-bonds resulting from different definitions is provided and compared. ►Seeking mechanism in liquid phase and structure-making in low-density supercritical water are proposed.
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
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