Search results
- 1.0322929 - ÚFCH JH 2009 RIV GB eng J - Journal Article
Sklenák, Štěpán - Dědeček, Jiří - Li, Chengbin - Wichterlová, Blanka - Gábová, Vendula - Sierka, M. - Sauer, J.
Aluminium siting in the ZSM-5 framework by combination of high resolution Al-27 NMR and DFT/MM calculations.
[Pozice hliníku v ZSM-5 zeolitu v kombinaci s 27Al 3Q MAS NMR spektroskopie a QM/MM výpočtu.]
Physical Chemistry Chemical Physics. Roč. 11, č. 8 (2009), s. 1237-1247. ISSN 1463-9076. E-ISSN 1463-9084
R&D Projects: GA AV ČR 1ET400400413; GA ČR GA203/06/1449
Institutional research plan: CEZ:AV0Z40400503
Keywords : MQ MAS NMR * approximate Coulomb potentials * ab-initio calculations
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 4.116, year: 2009
Permanent Link: http://hdl.handle.net/11104/0171054 - 2.0322907 - ÚFCH JH 2009 RIV US eng J - Journal Article
Dědeček, Jiří - Sklenák, Štěpán - Li, Chengbin - Wichterlová, Blanka - Gábová, Vendula - Brus, Jiří - Sierka, M. - Sauer, J.
Effect of Al-Si-Al and Al-Si-Si-Al Pairs in the ZSM-5 Zeolite Framework on the Al-27 NMR Spectra. A Combined High-Resolution Al-27 NMR and DFT/MM Study.
[Efekt přítomnosti Al-O-Si-O-Al a Al-O-Si-O-Si-O-Al sekvencí v ZSM-5 zeolitovém skeletu na lokální geometrii AlO4- tetrahedru a 27Al NMR parametry byl vyšetřován za použití 27Al 3Q MAS NMR spektroskopie a DFT/MM výpočtu.]
Journal of Physical Chemistry C. Roč. 113, č. 4 (2009), s. 1447-1458. ISSN 1932-7447. E-ISSN 1932-7455
R&D Projects: GA AV ČR 1ET400400413; GA AV ČR IAA400400812; GA AV ČR KAN100400702
Institutional research plan: CEZ:AV0Z40400503; CEZ:AV0Z40500505
Keywords : zeolites * ab-initio calculation * MAS NMR
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 4.224, year: 2009
Permanent Link: http://hdl.handle.net/11104/0171040 - 3.0315565 - ÚFCH JH 2009 RIV US eng J - Journal Article
Sazama, Petr - Dědeček, Jiří - Gábová, Vendula - Wichterlová, Blanka - Spoto, G. - Bordiga, S.
Effect of aluminium distribution in the framework of ZSM-5 on hydrocarbon transformation. Cracking of 1-butene.
[Vliv distribuce hliníku ve skeletu ZSM-5 na transformaci uhlovodíků. Krakování 1-butenu.]
Journal of Catalysis. Roč. 254, č. 2 (2008), s. 180-189. ISSN 0021-9517. E-ISSN 1090-2694
R&D Projects: GA AV ČR IAA4040308; GA AV ČR KAN100400702
Institutional research plan: CEZ:AV0Z40400503
Keywords : H-ZSM-5 * Al destribution * catalytic cracking * zeolite acidity
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 5.167, year: 2008
Permanent Link: http://hdl.handle.net/11104/0165730 - 4.0181740 - UFCH-W 20030174 RIV GB eng J - Journal Article
Gábová, Vendula - Dědeček, Jiří - Čejka, Jiří
Control of Al Distribution in ZSM-5 by Conditions of Zeolite Synthesis.
Chemical Communications. - (2003), s. 1196-1197. ISSN 1359-7345. E-ISSN 1364-548X
R&D Projects: GA AV ČR IAA4040308; GA AV ČR IAA4040001; GA ČR GA203/03/0804; GA MŠMT OC D15.20
Institutional research plan: CEZ:AV0Z4040901
Keywords : Al distribution * ZSM-5 * zeolite
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 4.031, year: 2003
Permanent Link: http://hdl.handle.net/11104/0078263 - 5.0090513 - ÚFCH JH 2008 RIV DE eng J - Journal Article
Sklenák, Štěpán - Dědeček, Jiří - Li, Chengbin - Wichterlová, Blanka - Gábová, Vendula - Sierka, M. - Sauer, J.
Aluminum siting in silicon-rich zeolite frameworks: A combined high-resolution Al-27 NMR spectroscopy and quantum mechanics/molecular mechanics study of ZSM-5.
[Pozice hliníku v zeolitickém skeletu: ALNMR spektroskopie a kvantová mechanika/studie molekulární mechaniky na ZSM-5.]
Angewandte Chemie - International Edition. Roč. 46, č. 38 (2007), s. 7286-7289. ISSN 1433-7851. E-ISSN 1521-3773
R&D Projects: GA AV ČR 1ET400400413; GA ČR GA203/06/1449; GA AV ČR IAA4040308
Institutional research plan: CEZ:AV0Z40400503
Keywords : MQ MAS NMR * chemical-shifts * ab-initio * catalysts
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 10.031, year: 2007
Permanent Link: http://hdl.handle.net/11104/0151383