About: Vapor-liquid equilibria in five-site (TIP5P) models of water

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An Entity of Type : http://linked.opendata.cz/ontology/domain/vavai/Vysledek, within Data Space : linked.opendata.cz associated with source document(s)

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
Description	Using the Gibbs ensemble Monte Carlo simulations, we have determined vapor-liquid equilibria in a new, reparametrized five-site model (TIP5P-E) of water and compared them with the original TIP5P model of Mahoney and Jorgensen and TIP4P water. It is shown that for vapor-liquid equilibria properties, the new model provides only a marginal improvement over the original model and both models are considerably inferior to the TIP4P model. Using the Gibbs ensemble Monte Carlo simulations, we have determined vapor-liquid equilibria in a new, reparametrized five-site model (TIP5P-E) of water and compared them with the original TIP5P model of Mahoney and Jorgensen and TIP4P water. It is shown that for vapor-liquid equilibria properties, the new model provides only a marginal improvement over the original model and both models are considerably inferior to the TIP4P model. (en)
Title	Vapor-liquid equilibria in five-site (TIP5P) models of water Vapor-liquid equilibria in five-site (TIP5P) models of water (en)
skos:prefLabel	Vapor-liquid equilibria in five-site (TIP5P) models of water Vapor-liquid equilibria in five-site (TIP5P) models of water (en)
skos:notation	RIV/44555601:13440/04:00004828!RIV10-MSM-13440___
http://linked.open...avai/riv/aktivita	S
http://linked.open...avai/riv/aktivity	S
http://linked.open...iv/cisloPeriodika	22
http://linked.open...vai/riv/dodaniDat	2010
http://linked.open...aciTvurceVysledku	Nezbeda, Ivo Lísal, Martin
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	Univerzita Jana Evangelisty Purkyně v Ústí nad Labem / Přírodovědecká fakulta
http://linked.open...dnocenehoVysledku	592096
http://linked.open...ai/riv/idVysledku	RIV/44555601:13440/04:00004828
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	Computer-simulatons; potencial functions; systems (en)
http://linked.open.../riv/klicoveSlovo	systems Computer-simulatons potencial functions
http://linked.open...odStatuVydavatele	US - Spojené státy americké
http://linked.open...ontrolniKodProRIV	[C1062166C648]
http://linked.open...i/riv/nazevZdroje	Journal of physical chemistry. B, Materials, surfaces, interfaces & biophysical
http://linked.open...in/vavai/riv/obor	BL
http://linked.open...ichTvurcuVysledku	2 (xsd:int)
http://linked.open...cetTvurcuVysledku	3 (xsd:int)
http://linked.open...UplatneniVysledku	2004
http://linked.open...v/svazekPeriodika	108
http://linked.open...iv/tvurceVysledku	Lísal, Martin Nezbeda, Ivo Smith, W. R.
http://linked.open...ain/vavai/riv/wos	000221700300069
issn	1089-5647
number of pages	3 (xsd:int)
http://localhost/t...ganizacniJednotka	13440

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