About: Characterization of the sodium binding sites in microcrystalline ATP by Na-23-solid-state NMR and ab initio calculations     Goto   Sponge   NotDistinct   Permalink

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  • We have presented NMR data characterizing the sodium sites in samples of hydrated Na2ATP. Large molecular clusters were used in ab initio calculations to obtain accurate quadrupolar parameters for the four distinct sodium sites. We showed that the charges at larger distances contribute significantly to the electric field gradients on the sodium ions.
  • We have presented NMR data characterizing the sodium sites in samples of hydrated Na2ATP. Large molecular clusters were used in ab initio calculations to obtain accurate quadrupolar parameters for the four distinct sodium sites. We showed that the charges at larger distances contribute significantly to the electric field gradients on the sodium ions. (en)
  • Byla popsána struktura vazených míst v mikrokrystalickém Na2ATP pomocí 23Na MAS NMR. Relativně rozsáhlé molekulární klastry byly použity jako vstupní data pro kvatově chemické výpočty kvadrupolárních parametrů a vliv meziatomární vzdálenosti na gradient elektrického pole byl detailně popsán (cs)
Title
  • Characterization of the sodium binding sites in microcrystalline ATP by Na-23-solid-state NMR and ab initio calculations
  • Charakterizace Na vazebných míst v mikrokrystalickém ATP pomocí 23Na MAS NMR a kvatově chemických výpočtů (cs)
  • Characterization of the sodium binding sites in microcrystalline ATP by Na-23-solid-state NMR and ab initio calculations (en)
skos:prefLabel
  • Characterization of the sodium binding sites in microcrystalline ATP by Na-23-solid-state NMR and ab initio calculations
  • Charakterizace Na vazebných míst v mikrokrystalickém ATP pomocí 23Na MAS NMR a kvatově chemických výpočtů (cs)
  • Characterization of the sodium binding sites in microcrystalline ATP by Na-23-solid-state NMR and ab initio calculations (en)
skos:notation
  • RIV/61389013:_____/09:00323315!RIV09-AV0-61389013
http://linked.open...avai/riv/aktivita
http://linked.open...avai/riv/aktivity
  • P(MEB060718), Z(AV0Z40500505)
http://linked.open...iv/cisloPeriodika
  • 4
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
  • 306803
http://linked.open...ai/riv/idVysledku
  • RIV/61389013:_____/09:00323315
http://linked.open...riv/jazykVysledku
http://linked.open.../riv/klicovaSlova
  • solid state NMR; MQMAS; Gaussian (en)
http://linked.open.../riv/klicoveSlovo
http://linked.open...odStatuVydavatele
  • NL - Nizozemsko
http://linked.open...ontrolniKodProRIV
  • [B96E251483AE]
http://linked.open...i/riv/nazevZdroje
  • Inorganica chimica acta
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
  • 362
http://linked.open...iv/tvurceVysledku
  • Müller, N.
  • Schoefberger, W.
  • Brus, Jiří
  • Hauebl, M.
  • Nausner, M.
http://linked.open...ain/vavai/riv/wos
  • 000263322200007
http://linked.open...n/vavai/riv/zamer
issn
  • 0020-1693
number of pages
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