Local Molecular Field Theory for Coulomb Interactions in Aqueous Solutions

Coulomb interactions play a crucial role in a wide array of processes in aqueous solutions but present conceptual and computational challenges to both theory and simulations. We review recent developments in an approach addressing these challengeslocal molecular field (LMF) theory. LMF theory explo...

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Veröffentlicht in:	The journal of physical chemistry. B 2023-02, Vol.127 (4), p.809-821
Hauptverfasser:	Gao, Ang, Remsing, Richard C., Weeks, John D.
Format:	Artikel
Sprache:	eng
Schlagworte:	INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY Molecular interactions Molecular modeling Molecules Solution chemistry Solvents
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