Simulation Studies of the Dynamics and the Connectivity Patterns of Hydrogen Bonds in Water from Ambient to Supercritical Conditions

Simulation Studies of the Dynamics and the Connectivity Patterns of Hydrogen Bonds in Water from Ambient to Supercritical Conditions

Pressurized high-temperature water attracts attention as a promising medium for chemical synthesis, biomass processing or destruction of hazardous waste. Adjustment to the desired solvent properties requires knowledge on the behavior of populations of hydrogen-bonded molecules. In this work, the int...

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Bibliographic Details
Main Author:	Dorota Swiatla-Wojcik
Format:	Article
Language:	English
Published:	MDPI AG 2024-11-01
Series:	Molecules
Subjects:	hydrogen bond liquid water supercritical water MD simulation flexible potentials H-bond lifetime
Online Access:	https://www.mdpi.com/1420-3049/29/23/5513
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