About: Structures and energetics of helium cluster cations: Equilibrium geometries revisited through the genetic algorithm approach.

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
Description	Equilibrium geometries and dissociation energies of HeN + clusters have been calculated for N=3-35 using an extended genetic algorithm approach and a semiempirical model of intracluster interactions [P. J. Knowles, J. N. Murrell, and E. J. Hodge, Mol. Phys. 85, 243 (1995)]. A general aufbau principle is formulated for both ionic cores and neutral solvation shells, and the results are thoroughly compared with other theoretical data available for helium cluster cations in literature. Equilibrium geometries and dissociation energies of HeN + clusters have been calculated for N=3-35 using an extended genetic algorithm approach and a semiempirical model of intracluster interactions [P. J. Knowles, J. N. Murrell, and E. J. Hodge, Mol. Phys. 85, 243 (1995)]. A general aufbau principle is formulated for both ionic cores and neutral solvation shells, and the results are thoroughly compared with other theoretical data available for helium cluster cations in literature. (en)
Title	Structures and energetics of helium cluster cations: Equilibrium geometries revisited through the genetic algorithm approach. Structures and energetics of helium cluster cations: Equilibrium geometries revisited through the genetic algorithm approach. (en)
skos:prefLabel	Structures and energetics of helium cluster cations: Equilibrium geometries revisited through the genetic algorithm approach. Structures and energetics of helium cluster cations: Equilibrium geometries revisited through the genetic algorithm approach. (en)
skos:notation	RIV/61988987:17310/10:A11010W5!RIV11-GA0-17310___
http://linked.open...avai/riv/aktivita	P S V
http://linked.open...avai/riv/aktivity	P(1N04125), P(GA203/04/2146), P(MEB020946), S, V
http://linked.open...iv/cisloPeriodika	16
http://linked.open...vai/riv/dodaniDat	2011
http://linked.open...aciTvurceVysledku	Oleksy, Karel Karlický, František 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	290528
http://linked.open...ai/riv/idVysledku	RIV/61988987:17310/10:A11010W5
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	rare gas clusters; helium; charged clusters; structure; global optimization (en)
http://linked.open.../riv/klicoveSlovo	helium structure global optimization charged clusters rare gas clusters
http://linked.open...odStatuVydavatele	US - Spojené státy americké
http://linked.open...ontrolniKodProRIV	[067F3D9453C7]
http://linked.open...i/riv/nazevZdroje	J CHEM PHYS
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. Realistic modelling and simulations of ionic rare-gas clusters and theory of resonances. Modelling of helium ionic clusters: structure, spectra, thermodynamics, and dynamics
http://linked.open...UplatneniVysledku	2010
http://linked.open...v/svazekPeriodika	133
http://linked.open...iv/tvurceVysledku	Karlický, František Kalus, René Oleksy, Karel
http://linked.open...ain/vavai/riv/wos	000283753600028
issn	0021-9606
number of pages	15 (xsd:int)
http://localhost/t...ganizacniJednotka	17310
is http://linked.open...avai/riv/vysledek of	Structures and energetics of helium cluster cations: Equilibrium geometries revisited through the genetic algorithm approach. Structures and energetics of helium cluster cations: Equilibrium geometries revisited through the genetic algorithm approach. Structures and energetics of helium cluster cations: Equilibrium geometries revisited through the genetic algorithm approach.

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