Number of the records: 1
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
- 1.
SYSNO 0336493 Title 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 Title 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 Author(s) Dědeček, Jiří (UFCH-W) RID, ORCID
Sklenák, Štěpán (UFCH-W) RID, ORCID, SAI
Li, Chengbin (UFCH-W)
Gao, Fei (UFCH-W)
Brus, Jiří (UMCH-V) [STRUCTURE] RID, ORCID
Zhu, Q. (JP)
Tatsumi, T. (JP)Source Title Journal of Physical Chemistry C. Roč. 113, č. 32 (2009), s. 14454-14466. - : American Chemical Society Document Type Článek v odborném periodiku Grant IAA400400812 GA AV ČR - Academy of Sciences of the Czech Republic (AV ČR) IAA400400908 GA AV ČR - Academy of Sciences of the Czech Republic (AV ČR) IAA400400904 GA AV ČR - Academy of Sciences of the Czech Republic (AV ČR) GA203/09/1627 GA ČR - Czech Science Foundation (CSF) KAN100400702 GA AV ČR - Academy of Sciences of the Czech Republic (AV ČR) CEZ AV0Z40400503 - UFCH-W (2005-2011) AV0Z40500505 - UMCH-V (2005-2011) Language eng Country US Keywords ab-initio calculation * NMR spectroscopy * DFT/MM Permanent Link http://hdl.handle.net/11104/0180713
Number of the records: 1