Can Water Polarizability Be Ignored in Hydrogen Bond Kinetics?

The kinetics of forming and breaking water−water hydrogen bonds in neat water, an aqueous solution of ethane, and an aqueous solution of NaCl are studied by molecular dynamics simulations. We compare nonpolarizable and polarizable water models to elucidate the effect of water's polarizability o...

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Veröffentlicht in:	The journal of physical chemistry. B 2002-02, Vol.106 (8), p.2054-2060
Hauptverfasser:	Xu, Huafeng, Stern, Harry A, Berne, B. J
Format:	Artikel
Sprache:	eng
Online-Zugang:	Volltext
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