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Description
| - The acidity of the Bronsted sites in SAPO STA-7 material is investigated by atomistic simulation techniques. The long-range interactions mainly govern the acidity where as the short-range contributions have only a limited degree of influence. The calculated population of the OH stretching frequencies for a STA-7 sample with 4.8 silicon atoms per unit cell, predicts a broad distribution ranging from 3560 cm-1 to 3585 cm-1 which is confirmed by Infrared Spectroscopy.
- The acidity of the Bronsted sites in SAPO STA-7 material is investigated by atomistic simulation techniques. The long-range interactions mainly govern the acidity where as the short-range contributions have only a limited degree of influence. The calculated population of the OH stretching frequencies for a STA-7 sample with 4.8 silicon atoms per unit cell, predicts a broad distribution ranging from 3560 cm-1 to 3585 cm-1 which is confirmed by Infrared Spectroscopy. (en)
- Ke studiu kyselosti Broenstedových center v materiálu SAPO STA-7 byly použity počítačové simulace. Interakce na dlouhou vzdálenost určují především kyselost, zatímco interakce na krátkou vzdálenost mají jen nepatrný vliv. Vypočítaná populace OH valenčních vibrací pro vzorky STA-7 se 4,8 křemíkovými atomy na jednotku cely předpovídají široký rozsah distribuce od 3560 cm-1 do 3585 cm-1 což je potvrzeno infračervenou spektroskopií. (cs)
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Title
| - A computational study of the stretching frequencies of Bronsted acid sites in SAPO STA-7: preliminary comparison with infrared
- A computational study of the stretching frequencies of Bronsted acid sites in SAPO STA-7: preliminary comparison with infrared (en)
- Matematická studie valenčních vibracích Broenstedových kyselých center v materiálu SAPO STA-7: úvodní srovnání s infračervenou spektroskopií (cs)
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skos:prefLabel
| - A computational study of the stretching frequencies of Bronsted acid sites in SAPO STA-7: preliminary comparison with infrared
- A computational study of the stretching frequencies of Bronsted acid sites in SAPO STA-7: preliminary comparison with infrared (en)
- Matematická studie valenčních vibracích Broenstedových kyselých center v materiálu SAPO STA-7: úvodní srovnání s infračervenou spektroskopií (cs)
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skos:notation
| - RIV/61388955:_____/07:00085033!RIV08-AV0-61388955
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http://linked.open.../vavai/riv/strany
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http://linked.open...avai/riv/aktivita
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http://linked.open...avai/riv/aktivity
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http://linked.open...iv/cisloPeriodika
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http://linked.open...vai/riv/dodaniDat
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http://linked.open...aciTvurceVysledku
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http://linked.open.../riv/druhVysledku
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http://linked.open...iv/duvernostUdaju
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http://linked.open...titaPredkladatele
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http://linked.open...dnocenehoVysledku
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http://linked.open...ai/riv/idVysledku
| - RIV/61388955:_____/07:00085033
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http://linked.open...riv/jazykVysledku
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http://linked.open.../riv/klicovaSlova
| - Bronsted acid; SAPO STA-7 material; zeolites (en)
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http://linked.open.../riv/klicoveSlovo
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http://linked.open...odStatuVydavatele
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http://linked.open...ontrolniKodProRIV
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http://linked.open...i/riv/nazevZdroje
| - Studies in Surface Science and Catalysis
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http://linked.open...in/vavai/riv/obor
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http://linked.open...ichTvurcuVysledku
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http://linked.open...cetTvurcuVysledku
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http://linked.open...UplatneniVysledku
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http://linked.open...v/svazekPeriodika
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http://linked.open...iv/tvurceVysledku
| - Čejka, Jiří
- Bejblová, Martina
- Maurin, G.
- Castro, M.
- Llewellyn, P.
- Déroche, I.
- Wright, P. A.
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http://linked.open...n/vavai/riv/zamer
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issn
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number of pages
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