Search results
- 1.0360036 - ÚFCH JH 2012 RIV US eng J - Journal Article
Dědeček, Jiří - Lucero, Melissa Jeanine - Li, Chengbin - Gao, Fei - Klein, Petr - Urbanová, Martina - Tvarůžková, Zdenka - Sazama, Petr - Sklenák, Štěpán
Complex Analysis of the Aluminum Siting in the Framework of Silicon-Rich Zeolites. A Case Study on Ferrierites.
Journal of Physical Chemistry C. Roč. 115, č. 22 (2011), s. 11056-11064. ISSN 1932-7447. E-ISSN 1932-7455
R&D Projects: GA AV ČR IAA400400812; GA AV ČR IAA400400908; GA AV ČR IAA400400904; GA ČR GA203/09/1627; GA ČR GP203/08/P593; GA AV ČR KAN100400702
Institutional research plan: CEZ:AV0Z40400503
Keywords : ferrierites * zeolites * aluminosilicates
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 4.805, year: 2011
Permanent Link: http://hdl.handle.net/11104/0197685 - 2.0336493 - ÚFCH JH 2010 RIV US eng J - Journal Article
Dědeček, Jiří - Sklenák, Štěpán - Li, Chengbin - Gao, Fei - Brus, Jiří - Zhu, Q. - Tatsumi, T.
Effect of Al/Si Substitutions and Silanol Nests on the Local Geometry of Si and Al Framework Sites in Silicone-Rich Zeolites: A Combined High Resolution Al-27 and Si-29 NMR and Density Functional Theory/Molecular Mechanics Study.
[Efekt Al/Si substituce a silanolových hnízd na lokální geometrii Si a Al skeletálních míst v křemíkem bohatých zeolitech: kombinovaná studie využívající vysoko rozlišenou 27Al a 29Si NMR spektroskopii a DFT/molekulovou mechaniku.]
Journal of Physical Chemistry C. Roč. 113, č. 32 (2009), s. 14454-14466. ISSN 1932-7447. E-ISSN 1932-7455
R&D Projects: GA AV ČR IAA400400812; GA AV ČR IAA400400908; GA AV ČR IAA400400904; GA ČR GA203/09/1627; GA AV ČR KAN100400702
Institutional research plan: CEZ:AV0Z40400503; CEZ:AV0Z40500505
Keywords : ab-initio calculation * NMR spectroscopy * DFT/MM
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 4.224, year: 2009
Permanent Link: http://hdl.handle.net/11104/0180713 - 3.0315490 - ÚFCH JH 2009 RIV CZ eng J - Journal Article
Sklenák, Štěpán - Dědeček, Jiří - Li, Chengbin - Gao, Fei - Jansang, Bavornpon - Boekfa, Bundet - Wichterlová, Blanka - Sauer, J.
Aluminum siting in the ZSM-22 and theta-1 zeolites revisited: A QM/MM study.
[Obsazeni T poloh hlinikem v ZSM-22 a Theta-1 zeolitech znovu zkoumane. QM/MM studie.]
Collection of Czechoslovak Chemical Communications. Roč. 73, 6-7 (2008), s. 909-920. ISSN 0010-0765
R&D Projects: GA ČR GA203/06/1449
Institutional research plan: CEZ:AV0Z40400503
Keywords : QM/MM study * ZSM-22 zeolites * theta-1 zeolites
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 0.784, year: 2008
Permanent Link: http://hdl.handle.net/11104/0165675