Chloride Anion on Aqueous Clusters at the Air-Water Interface, and in Liquid Water: Solvent Effects on Cl- Polarizability.
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388955%3A_____%2F02%3A54020053" target="_blank" >RIV/61388955:_____/02:54020053 - isvavai.cz</a>
Result on the web
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DOI - Digital Object Identifier
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Alternative languages
Result language
angličtina
Original language name
Chloride Anion on Aqueous Clusters at the Air-Water Interface, and in Liquid Water: Solvent Effects on Cl- Polarizability.
Original language description
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.
Czech name
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Czech description
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Classification
Type
J<sub>x</sub> - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)
CEP classification
CF - Physical chemistry and theoretical chemistry
OECD FORD branch
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Result continuities
Project
<a href="/en/project/LN00A032" target="_blank" >LN00A032: Structure and dynamics of complex molecular systems and biomolecules</a><br>
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)<br>Z - Vyzkumny zamer (s odkazem do CEZ)
Others
Publication year
2002
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Journal of Physical Chemistry. A
ISSN
1089-5639
e-ISSN
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Volume of the periodical
106
Issue of the periodical within the volume
2
Country of publishing house
US - UNITED STATES
Number of pages
5
Pages from-to
379-383
UT code for WoS article
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EID of the result in the Scopus database
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