Modelling of Krn+ clusters IV: Structural changes in Kr3+ and Kr4+.

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61988987%3A17310%2F06%3A00000170" target="_blank" >RIV/61988987:17310/06:00000170 - isvavai.cz</a>
Alternative codes found
RIV/61988987:17310/06:00000163
Result on the web
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DOI - Digital Object Identifier
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Result language
angličtina
Original language name
Modelling of Krn+ clusters IV: Structural changes in Kr3+ and Kr4+.
Original language description
Constant-energy and constant-temperature Monte Carlo simulations have been performed to get insight into temperature-dependent structural changes taking place in the smallest krypton cluster cations, Kr$_3^+$ and Kr$_4^+$. It is well known that trimers and tetramers form ionic cores of larger rare-gas cluster cations. The two smallest ionic clusters of krypton are thus used to analyze possible structural changes occurring in ionic cores of larger Kr$_n^+$ clusters. The intra-cluster interactions are described using previously developed {it diatomics-in-molecules} models for the Kr$_n^+$ clusters with the inclusion of the spin-orbit coupling and the most important three-body non-additivities.
Czech name
Modelování klastrů Krn+ IV: Strukturní změny v Kr3+ a Kr4+.
Czech description
Prezentovány jsou výsledky kanonických a mikrokanonických simulací termodynamiky ionotvých trimerů a tetramerů kryptonu.

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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Project
Result was created during the realization of more than one project. More information in the Projects tab.
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Publication year
2006
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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