Revealing the Subtle Interplay of Thermal and Quantum Fluctuation Effects on Contact Ion Pairing in Microsolvated HCl

The combined effect of thermal fluctuations and quantum mechanical motion on the HCl(H2O)4 cluster is studied at different temperatures. Two conformations of this cluster are investigated: the ringlike structure that involves an undissociated HCl molecule (UD) and the contact ion pair (CIP), which i...

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Veröffentlicht in:	Chemphyschem 2013-03, Vol.14 (4), p.817-826
Hauptverfasser:	Walewski, Łukasz, Forbert, Harald, Marx, Dominik
Format:	Artikel
Sprache:	eng
Schlagworte:	Chemistry donor-acceptor systems Exact sciences and technology gas-phase reactions General and physical chemistry High temperature Hydrogen bonds ion pairs molecular dynamics
Online-Zugang:	Volltext
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