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3D Characterization of the Molecular Neighborhood of (•)OH Radical in High Temperature Water by MD Simulation and Voronoi Polyhedra

Understanding the properties of the (•)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 (•)OH radical in high temperat...

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Detalles Bibliográficos
Autores principales: Kazmierczak, Lukasz, Szala-Rearick, Joanna, Swiatla-Wojcik, Dorota
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2023
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9963584/
https://www.ncbi.nlm.nih.gov/pubmed/36834704
http://dx.doi.org/10.3390/ijms24043294