Search results
- 1.0394212 - ÚOCHB 2014 RIV US eng J - Journal Article
Rubeš, M. - Wiersum, A. D. - Llewellyn, P. L. - Grajciar, L. - Bludský, Ota - Nachtigall, P.
Adsorption of Propane and Propylene on CuBTC Metal-Organic Framework: Combined Theoretical and Experimental Investigation.
Journal of Physical Chemistry C. Roč. 117, č. 21 (2013), s. 11159-11167. ISSN 1932-7447. E-ISSN 1932-7455
R&D Projects: GA MŠMT(CZ) ME10032; GA ČR GBP106/12/G015
Institutional support: RVO:61388963
Keywords : coordinatively unsaturated sites * ab-initio calculations * basis-set convergence * molecular simulation * CuBTC
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 4.835, year: 2013
Permanent Link: http://hdl.handle.net/11104/0222543 - 2.0368056 - ÚOCHB 2012 RIV DE eng J - Journal Article
Areán, C. O. - Delgado, M. R. - Bibiloni, G. F. - Bludský, Ota - Nachtigall, P.
Variable-Temperature IR Spectroscopic and Theoretical Studies on CO2 Adsorbed in Zeolite K-FER.
ChemPhysChem. Roč. 12, č. 8 (2011), s. 1435-1443. ISSN 1439-4235. E-ISSN 1439-7641
R&D Projects: GA MŠMT(CZ) ME10032; GA MŠMT LC512; GA ČR GA203/09/0143
Institutional research plan: CEZ:AV0Z40550506
Keywords : adsorption * carbon dioxide * density functional calculations * IR spectroscopy * zeolites
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 3.412, year: 2011
Permanent Link: http://hdl.handle.net/11104/0202525 - 3.0368055 - ÚOCHB 2012 RIV CZ eng J - Journal Article
Bludský, Ota - Nachtigall, Petr - Špirko, Vladimír
Vibrational dynamics of adsorbed CO2: Separability of the CO2 asymmetric stretching mode.
Collection of Czechoslovak Chemical Communications. Roč. 76, č. 6 (2011), s. 669-682. ISSN 0010-0765
R&D Projects: GA MŠMT LC512; GA ČR GAP208/11/0436; GA MŠMT(CZ) ME10032
Grant - others:GA MŠk(CZ) KONTAKT-II(LH)-CH022
Institutional research plan: CEZ:AV0Z40550506
Keywords : adsorption of CO2 * vibrational dynamics * DFT calculations
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 1.283, year: 2011
Permanent Link: http://hdl.handle.net/11104/0202524