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

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
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. 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. (en) Prezentovány jsou výsledky kanonických a mikrokanonických simulací termodynamiky ionotvých trimerů a tetramerů kryptonu. (cs)
Title	Modelling of Krn+ clusters IV: Structural changes in Kr3+ and Kr4+. Modelling of Krn+ clusters IV: Structural changes in Kr3+ and Kr4+. (en) Modelování klastrů Krn+ IV: Strukturní změny v Kr3+ a Kr4+. (cs)
skos:prefLabel	Modelling of Krn+ clusters IV: Structural changes in Kr3+ and Kr4+. Modelling of Krn+ clusters IV: Structural changes in Kr3+ and Kr4+. (en) Modelování klastrů Krn+ IV: Strukturní změny v Kr3+ a Kr4+. (cs)
skos:notation	RIV/61988987:17310/06:00000163!RIV07-MSM-17310___
http://linked.open.../vavai/riv/strany	278
http://linked.open...avai/riv/aktivita	P
http://linked.open...avai/riv/aktivity	P(1N04125), P(GA203/02/1204)
http://linked.open...iv/cisloPeriodika	0
http://linked.open...vai/riv/dodaniDat	2007
http://linked.open...aciTvurceVysledku	Vítek, Aleš Hrivňák, Daniel Kalus, René
http://linked.open.../riv/druhVysledku	J - Článek v odborném periodiku
http://linked.open...iv/duvernostUdaju	S - Úplné a pravdivé údaje nepodléhající ochraně podle zvláštních právních předpisů
http://linked.open...titaPredkladatele	Ostravská univerzita v Ostravě / Přírodovědecká fakulta
http://linked.open...dnocenehoVysledku	486236
http://linked.open...ai/riv/idVysledku	RIV/61988987:17310/06:00000163
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	krypton; rare gases; cluster ions; diatomics-in-molecules; phase changes; Monte Carlo (en)
http://linked.open.../riv/klicoveSlovo	krypton phase changes cluster ions diatomics-in-molecules Monte Carlo rare gases
http://linked.open...odStatuVydavatele	NL - Nizozemsko
http://linked.open...ontrolniKodProRIV	[81E2E91B85DA]
http://linked.open...i/riv/nazevZdroje	Chemical Physics
http://linked.open...in/vavai/riv/obor	CF
http://linked.open...ichTvurcuVysledku	3 (xsd:int)
http://linked.open...cetTvurcuVysledku	3 (xsd:int)
http://linked.open...vavai/riv/projekt	Centre of numerically demanding computations of the University of Ostrava. Structure and thermodynamical properties of small ionic noble gas clusters
http://linked.open...UplatneniVysledku	2006
http://linked.open...v/svazekPeriodika	325
http://linked.open...iv/tvurceVysledku	Kalus, René Vítek, Aleš Hrivňák, Daniel
issn	0301-0104
number of pages	13 (xsd:int)
http://localhost/t...ganizacniJednotka	17310
is http://linked.open...avai/riv/vysledek of	Modelling of Krn+ clusters IV: Structural changes in Kr3+ and Kr4+. Modelling of Krn+ clusters IV: Structural changes in Kr3+ and Kr4+.

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