3D Characterization of the Molecular Neighborhood of <sup>•</sup>OH Radical in High Temperature Water by MD Simulation and Voronoi Polyhedra

3D Characterization of the Molecular Neighborhood of <sup>•</sup>OH Radical in High Temperature Water by MD Simulation and Voronoi Polyhedra

Understanding the properties of the <sup>•</sup>OH radical in aqueous environments is essential for biochemistry, atmospheric chemistry, and the development of green chemistry technologies. In particular, the technological applications involve knowledge of microsolvation of the <sup&g...

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Bibliographic Details
Main Authors: Lukasz Kazmierczak, Joanna Szala-Rearick, Dorota Swiatla-Wojcik
Format: Article
Language:English
Published: MDPI AG 2023-02-01
Series:International Journal of Molecular Sciences
Subjects:
OH radical
MD simulation
Voronoi polyhedra
aqueous solution
high temperature water
molecular structure
Online Access:https://www.mdpi.com/1422-0067/24/4/3294

Internet

https://www.mdpi.com/1422-0067/24/4/3294

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