Search results
- 1.0375973 - ÚFCH JH 2013 RIV US eng J - Journal Article
Wang, J. - Sklenák, Štěpán - Liu, A. - Felczak, K. - Wu, Y. - Li, Y. - Yan, H.
Role of Glutamate 64 in the Activation of the Prodrug 5-Fluorocytosine by Yeast Cytosine Deaminase.
Biochemistry. Roč. 51, č. 1 (2012), s. 475-486. ISSN 0006-2960
R&D Projects: GA AV ČR IAA400400812; GA AV ČR IAA400400908; GA ČR GA203/09/1627
Institutional research plan: CEZ:AV0Z40400503
Keywords : transition-state analog * barrier hydrogen-bond * side-chain amides
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 3.377, year: 2012
Permanent Link: http://hdl.handle.net/11104/0208496 - 2.0360036 - 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 - 3.0345231 - ÚFCH JH 2011 RIV US eng J - Journal Article
Sklenák, Štěpán - Andrikopoulos, Prokopis C. - Boekfa, Bundet - Jansang, Bavornpon - Nováková, Jana - Benco, L. - Bucko, T. - Hafner, J. - Dědeček, Jiří - Sobalík, Zdeněk
N2O decomposition over Fe-zeolites: Structure of the active sites and the origin of the distinct reactivity of Fe-ferrierite, Fe-ZSM-5, and Fe-beta. A combined periodic DFT and multispectral study.
Journal of Catalysis. Roč. 272, č. 2 (2010), s. 262-274. ISSN 0021-9517. E-ISSN 1090-2694
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
Keywords : N2O decomposition * Fe in ferrierite * Fe in ZSM-5
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 5.415, year: 2010
Permanent Link: http://hdl.handle.net/11104/0186547 - 4.0336493 - 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