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- URN zum Zitieren dieses Dokuments:
- urn:nbn:de:bvb:355-epub-459573
- DOI zum Zitieren dieses Dokuments:
- 10.5283/epub.45957
Zusammenfassung
The ability to reproduce the experimental structure of water around the sodium and potassium ions is a key test of the quality of interaction potentials due to the central importance of these ions in a wide range of important phenomena. Here, we simulate the Na+ and K+ ions in bulk water using three density functional theory functionals: (1) the generalized gradient approximation (GGA) based ...
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