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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Title
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
Authors
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Journal
JOURNAL OF CHEMICAL PHYSICS
Volume 148, Issue 22, Pages 222814
Publisher
AIP Publishing
Online
2018-03-17
DOI
10.1063/1.5000799
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