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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...
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
MDPI
2023
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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 |