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Description
  • Přinášíme výsledky systematické rozsáhlé studie orientační struktury vodních molekul v blízkosti apolárních látek různých velikostí v nekonečně zředěných roztocích za normálních podmínek. Byl uvažován široký rozsah velikosti rozpuštěné látky, modelované jako Lennard-Jonesova částice, včetně limitního případu hladké rovinné zdi (t.j. rozpuštěná látka nekonečného průměru). K popisu natáčení molekul je použito bivariantní i monovariantní rozložení úhlů. Je demonstrováno, že běžně užívaná druhá z metod může vést k matoucím až chybným závěrům. (cs)
  • We report results of a systematic and extensive study on the orientational structure of water molecules in the vicinity of apolar solutes of varying size in infinitely diluted aqueous solutions at ambient conditions. A wide range of sizes of the solute, modelled as a Lennard-Jones particle, has been considered including also the limiting case of a smooth planar wall (i.e. a solute of an infinite diameter). Both the bivariate and monovariate angle distributions are used to describe the orientation of water molecules.It is demonstrated that the commonly used latter method may lead to misleading or even erroneous conclusions.
  • We report results of a systematic and extensive study on the orientational structure of water molecules in the vicinity of apolar solutes of varying size in infinitely diluted aqueous solutions at ambient conditions. A wide range of sizes of the solute, modelled as a Lennard-Jones particle, has been considered including also the limiting case of a smooth planar wall (i.e. a solute of an infinite diameter). Both the bivariate and monovariate angle distributions are used to describe the orientation of water molecules.It is demonstrated that the commonly used latter method may lead to misleading or even erroneous conclusions. (en)
Title
  • Hydration of Apolar Solutes of Varying Size: a Systematic Study
  • Hydration of Apolar Solutes of Varying Size: a Systematic Study (en)
  • Hydratace apolárních látek: Systematická studie (cs)
skos:prefLabel
  • Hydration of Apolar Solutes of Varying Size: a Systematic Study
  • Hydration of Apolar Solutes of Varying Size: a Systematic Study (en)
  • Hydratace apolárních látek: Systematická studie (cs)
skos:notation
  • RIV/67985858:_____/06:00054973!RIV07-AV0-67985858
http://linked.open.../vavai/riv/strany
  • 2465–2476
http://linked.open...avai/riv/aktivita
http://linked.open...avai/riv/aktivity
  • P(1ET400720409), P(GP203/03/P083), Z(AV0Z40720504)
http://linked.open...iv/cisloPeriodika
  • 15
http://linked.open...vai/riv/dodaniDat
http://linked.open...aciTvurceVysledku
http://linked.open.../riv/druhVysledku
http://linked.open...iv/duvernostUdaju
http://linked.open...titaPredkladatele
http://linked.open...dnocenehoVysledku
  • 478482
http://linked.open...ai/riv/idVysledku
  • RIV/67985858:_____/06:00054973
http://linked.open...riv/jazykVysledku
http://linked.open.../riv/klicovaSlova
  • hydration; orientation; water (en)
http://linked.open.../riv/klicoveSlovo
http://linked.open...odStatuVydavatele
  • GB - Spojené království Velké Británie a Severního Irska
http://linked.open...ontrolniKodProRIV
  • [16C3B2E8BDE9]
http://linked.open...i/riv/nazevZdroje
  • Molecular Physics
http://linked.open...in/vavai/riv/obor
http://linked.open...ichTvurcuVysledku
http://linked.open...cetTvurcuVysledku
http://linked.open...vavai/riv/projekt
http://linked.open...UplatneniVysledku
http://linked.open...v/svazekPeriodika
  • 104
http://linked.open...iv/tvurceVysledku
  • Nezbeda, Ivo
  • Předota, Milan
  • Jedlovszky, P.
http://linked.open...n/vavai/riv/zamer
issn
  • 0026-8976
number of pages
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