0181389 - UFCH-W 20020053 RIV US eng J - Článek v odborném periodiku
Jungwirth, Pavel - Tobias, D. J.
Chloride Anion on Aqueous Clusters at the Air-Water Interface, and in Liquid Water: Solvent Effects on Cl- Polarizability.
Journal of Physical Chemistry A. Roč. 106, č. 2 (2002), s. 379-383. ISSN 1089-5639. E-ISSN 1520-5215
Grant CEP: GA MŠMT LN00A032
Výzkumný záměr: CEZ:AV0Z4040901
Klíčová slova: chloride * polarizability * solvation
Kód oboru RIV: CF - Fyzikální chemie a teoretická chemie
Impakt faktor: 2.765, rok: 2002

The effect of asymmetric aqueous solvation on the polarizability of the chloride anion is investigated by accurate ab initio calculations on structures obtained from classical molecular dynamics and Car-Parrinello molecular dynamics simulations. It is shown that water environment significantly reduces the halide polarizability, on clusters, at interfaces, and in the bulk.
Trvalý link: http://hdl.handle.net/11104/0001879