Aluminium siting in the ZSM-5 framework by combination of high resolution Al-27 NMR and DFT/MM calculations

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