Single-Ion Thermodynamics from First Principles: Calculation of the Absolute Hydration Free Energy and Single-Electrode Potential of Aqueous Li+ Using ab Initio Quantum Mechanical/Molecular Mechanical Molecular Dynamics Simulations
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Date
2018-12-11Type
- Journal Article
Citations
Cited 12 times in
Web of Science
Cited 12 times in
Scopus
ETH Bibliography
yes
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Publication status
publishedExternal links
Journal / series
Journal of Chemical Theory and ComputationVolume
Pages / Article No.
Publisher
American Chemical SocietyOrganisational unit
08820 - Hünenberger, Philippe (Tit.-Prof.)
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Citations
Cited 12 times in
Web of Science
Cited 12 times in
Scopus
ETH Bibliography
yes
Altmetrics