Cargando…
Intracluster Reaction Dynamics of Ionized Micro-Hydrated Hydrogen Peroxide (H(2)O(2)): A Direct Ab Initio Molecular Dynamics Study
[Image: see text] Hydrogen peroxide (H(2)O(2)) is a unique molecule that is applied in various fields, including energy chemistry, astrophysics, and medicine. H(2)O(2) readily forms clusters with water molecules. In the present study, the reactions of ionized H(2)O(2)–water clusters, H(2)O(2)(+)(H(2...
Autores principales: | Yamasaki, Shuhei, Tachikawa, Hiroto |
---|---|
Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
American Chemical Society
2022
|
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9520719/ https://www.ncbi.nlm.nih.gov/pubmed/36188254 http://dx.doi.org/10.1021/acsomega.2c02730 |
Ejemplares similares
-
Reactions of Photoionization-Induced CO–H(2)O Cluster: Direct Ab Initio Molecular Dynamics Study
por: Tachikawa, Hiroto
Publicado: (2021) -
An ab initio and AIM investigation into the hydration of 2-thioxanthine
por: Yuan, Xiu-Xiang, et al.
Publicado: (2010) -
Probing the self-ionization of liquid water with ab initio deep potential molecular dynamics
por: Calegari Andrade, Marcos, et al.
Publicado: (2023) -
Hydrogen‐Bond Structure and Low‐Frequency Dynamics of Electrolyte Solutions: Hydration Numbers from ab Initio Water Reorientation Dynamics and Dielectric Relaxation Spectroscopy
por: Kim, Seonmyeong, et al.
Publicado: (2020) -
Common Cations Are Not Polarizable: Effects of Dispersion
Correction on Hydration Structures from Ab Initio Molecular Dynamics
por: Kostal, Vojtech, et al.
Publicado: (2023)