Water Lone Pair Delocalization in Classical and Quantum Descriptions of the Hydration of Model Ions

Understanding the nature of ionic hydration at a fundamental level has eluded scientists despite intense interest for nearly a century. In particular, the microscopic origins of the asymmetry of ion solvation thermodynamics with respect to the sign of the ionic charge remains a mystery. Here, we det...

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Veröffentlicht in:	The journal of physical chemistry. B 2018-04, Vol.122 (13), p.3519-3527
Hauptverfasser:	Remsing, Richard C, Duignan, Timothy T, Baer, Marcel D, Schenter, Gregory K, Mundy, Christopher J, Weeks, John D
Format:	Artikel
Sprache:	eng
Schlagworte:	CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
Online-Zugang:	Volltext
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