Adrian Malinowski - Publications - Bridge of Knowledge

Adrian Malinowski

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PhD Student at Department of Physical Chemistry

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Year 2022

Solvent Exchange around Aqueous Zn(II) from Ab Initio Molecular Dynamics Simulations
Publication
- A. Malinowski
- M. Śmiechowski
- Liquids - Year 2022
Hydrated 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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