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Research projects

2019-2021 Characteristics of chemically reactive liquids produced by non-equilibrium plasma
Co-investigator
Provider: Czech Science Foundation; Project ID: GA19-25026S

List of Publications

2023Xu S., Jirásek V., Lukeš P.: Elucidation of Molecular-level Mechanisms of Oxygen Atom Reactions with Chlorine Ion in NaCl Solutions using Molecular Dynamics Simulations Combined with Density Functional Theory. ChemistrySelect 8 [23] (2023) č. článku e202203937.
[ Abstract ]
[ Link ]
 
2021Xu S., Lukeš P.: Gas-liquid interface influencing electronic structure of phenol based on molecular dynamics simulations and theoretical X-ray absorption spectroscopy. Journal of Molecular Liquids 341 [November] (2021) č. článku 117378.
[ Abstract ]
[ Link ]
 
2020Xu S., Jirásek V., Lukeš P.: Molecular dynamics simulations of singlet oxygen atoms reactions with water leading to hydrogen peroxide. Journal of Physics D-Applied Physics 53 [27] (2020) č. článku 275204.
[ Abstract ]
[ Link ]