Absolute proton hydration free energy, surface potential of water, and redox potential of the hydrogen electrode from first principles: QM/MM MD free-energy simulations of sodium and potassium hydration
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Date
2018-06-14Type
- Journal Article
Publication status
publishedJournal / series
The Journal of Chemical PhysicsVolume
Pages / Article No.
Publisher
American Institute of PhysicsOrganisational unit
08820 - Hünenberger, Philippe (Tit.-Prof.)
Funding
175944 - A Combinatorial Computational Chemistry Approach to Force-Field Development (SNF)
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