Coupled jump rotational dynamics in aqueous nitrate solutions

A nitrate ion ( NO 3 − ) with its trigonal planar geometry and charges distributed among nitrogen and oxygen atoms can couple to the extensive hydrogen bond network of water to give rise to unique dynamical characteristics. We carry out detailed atomistic simulations and theoretical analyses to inve...

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Veröffentlicht in:	The Journal of chemical physics 2016-12, Vol.145 (23), p.234502-234502
Hauptverfasser:	Banerjee, Puja, Yashonath, Subramanian, Bagchi, Biman
Format:	Artikel
Sprache:	eng
Schlagworte:	Chemical bonds Computer simulation Coupling (molecular) Dynamics Hydrogen bonds Nitrates Oxygen atoms Relaxation time Switching Time correlation functions Water Water chemistry
Online-Zugang:	Volltext
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