Infrared signatures of isomer selectivity and symmetry breaking in the Cs+(H2O)3 complex using many-body potential energy functions

A quantitative description of the interactions between ions and water is key to characterizing the role played by ions in mediating fundamental processes that take place in aqueous environments. At the molecular level, vibrational spectroscopy provides a unique means to probe the multidimensional po...

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Veröffentlicht in:	The Journal of chemical physics 2020-07, Vol.153 (4), p.044306-044306
Hauptverfasser:	Riera, Marc, Talbot, Justin J., Steele, Ryan P., Paesani, Francesco
Format:	Artikel
Sprache:	eng
Schlagworte:	Aqueous environments Broken symmetry Couplings Field theory Infrared signatures Isomers Monomers Potential energy Selectivity Self consistent fields Stability analysis Structural stability
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