Adrian Malinowski
Zatrudnienie
- Doktorant w Katedra Chemii Fizycznej
Obszary badawcze
Publikacje
Filtry
wszystkich: 1
Katalog Publikacji
Rok 2022
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Solvent Exchange around Aqueous Zn(II) from Ab Initio Molecular Dynamics Simulations
PublikacjaHydrated zinc(II) cations, due to their importance in biological systems, are the subject of ongoing research concerning their hydration shell structure and dynamics. Here, ab initio molecular dynamics (AIMD) simulations are used to study solvent exchange events around aqueous Zn2+, for which observation in detail is possible owing to the considerable length of the generated trajectory. While the hexacoordinated Zn(H2O)62+ is the...
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