About: Cluster model for the ionic product of water: Accuracy and limitations of common density functional methods

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
Description	In the present study, the performance of six popular density functionals (B3LYP, PBE0, BLYP, BP86, PBE, and SVWN) for the description of the autoionization process in the water octamer was studied. In the present study, the performance of six popular density functionals (B3LYP, PBE0, BLYP, BP86, PBE, and SVWN) for the description of the autoionization process in the water octamer was studied. (en) V této studii byla zkoumána použitelnost šesti populárních funkcionálů hustoty (B3LYP, PBE0, BLYP, BP86, PBE, a SVWN) pro popis autoionizačního procesu v oktameru vody. (cs)
Title	Cluster model for the ionic product of water: Accuracy and limitations of common density functional methods Cluster model for the ionic product of water: Accuracy and limitations of common density functional methods (en) Klastrový model iontového produktu vody: přesnost a omezení běžných funkcionálů hustoty (cs)
skos:prefLabel	Cluster model for the ionic product of water: Accuracy and limitations of common density functional methods Cluster model for the ionic product of water: Accuracy and limitations of common density functional methods (en) Klastrový model iontového produktu vody: přesnost a omezení běžných funkcionálů hustoty (cs)
skos:notation	RIV/61388963:_____/06:00041311!RIV07-AV0-61388963
http://linked.open.../vavai/riv/strany	9194;9199
http://linked.open...avai/riv/aktivita	P Z
http://linked.open...avai/riv/aktivity	P(GA202/06/0286), P(LC512), Z(AV0Z4055905)
http://linked.open...iv/cisloPeriodika	29
http://linked.open...vai/riv/dodaniDat	2007
http://linked.open...aciTvurceVysledku	Jungwirth, Pavel Svozil, Daniel
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	Ústav organické chemie a biochemie AV ČR, v. v. i.
http://linked.open...dnocenehoVysledku	468918
http://linked.open...ai/riv/idVysledku	RIV/61388963:_____/06:00041311
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	autoionization of water; water octamer; density functional theory (en)
http://linked.open.../riv/klicoveSlovo	density functional theory autoionization of water water octamer
http://linked.open...odStatuVydavatele	US - Spojené státy americké
http://linked.open...ontrolniKodProRIV	[835CAC531924]
http://linked.open...i/riv/nazevZdroje	Journal of Physical Chemistry. A
http://linked.open...in/vavai/riv/obor	CF
http://linked.open...ichTvurcuVysledku	2 (xsd:int)
http://linked.open...cetTvurcuVysledku	2 (xsd:int)
http://linked.open...vavai/riv/projekt	Center for biomolecules and complex molecular systems Study of the dynamics of delocalized electronic states in molecular systems using time-resolved terahertz spectroscopy
http://linked.open...UplatneniVysledku	2006
http://linked.open...v/svazekPeriodika	110
http://linked.open...iv/tvurceVysledku	Jungwirth, Pavel Svozil, Daniel
http://linked.open...n/vavai/riv/zamer	Chemical principles of selected biological phenomena in medicine and ecology
issn	1089-5639
number of pages	6 (xsd:int)
is http://linked.open...avai/riv/vysledek of	Cluster model for the ionic product of water: Accuracy and limitations of common density functional methods Cluster model for the ionic product of water: Accuracy and limitations of common density functional methods

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