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rdf:type
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Description
| - The preferred Cu+ sites and formation of mono-, di-, and tricarbonyl complexes in the Cu-FER were investigated at the periodic density functional theory level and by means of FTIR spectroscopy. The site-specificity of adsorption enthalpies of CO on Cu-FER and of vibrational frequencies of polycarbonyl complexes were investigated for various Cu+ sites in Cu-FER.
- The preferred Cu+ sites and formation of mono-, di-, and tricarbonyl complexes in the Cu-FER were investigated at the periodic density functional theory level and by means of FTIR spectroscopy. The site-specificity of adsorption enthalpies of CO on Cu-FER and of vibrational frequencies of polycarbonyl complexes were investigated for various Cu+ sites in Cu-FER. (en)
- Stabilita polykarbonylových komplexů (mono-, di- a tri-) v Cu-FER byla studována pomocí periodických DFT (density functional) výpočtů a s použitím FTIR spektroskopie. Adsorpční entalpie a vibrační CO frekvence pro různá aktivní centra v systému Cu-FER byly zkoumány s ohledem na možnost jejich rozlišení v IČ spektrech. (cs)
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Title
| - On the site-specificity of polycarbonyl complexes in Cu/zeolites: combined experimental and DFT study
- On the site-specificity of polycarbonyl complexes in Cu/zeolites: combined experimental and DFT study (en)
- Experimentální a teoretické studium polykarbonylových komplexů v Cu-zeolitech (cs)
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skos:prefLabel
| - On the site-specificity of polycarbonyl complexes in Cu/zeolites: combined experimental and DFT study
- On the site-specificity of polycarbonyl complexes in Cu/zeolites: combined experimental and DFT study (en)
- Experimentální a teoretické studium polykarbonylových komplexů v Cu-zeolitech (cs)
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skos:notation
| - RIV/61388963:_____/06:00047109!RIV07-AV0-61388963
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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
| - P(GA203/06/0324), P(IAA400550613), P(LC512), Z(AV0Z40550506)
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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/61388963:_____/06:00047109
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http://linked.open...riv/jazykVysledku
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http://linked.open.../riv/klicovaSlova
| - vibrational dynamics; IR spectroscopy; periodic DFT (en)
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http://linked.open.../riv/klicoveSlovo
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http://linked.open...odStatuVydavatele
| - GB - Spojené království Velké Británie a Severního Irska
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http://linked.open...ontrolniKodProRIV
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http://linked.open...i/riv/nazevZdroje
| - Physical Chemistry Chemical Physics
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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...vavai/riv/projekt
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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
| - Bulánek, R.
- Bludský, Ota
- Nachtigall, Petr
- Rubeš, Miroslav
- Drobná, H.
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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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