Search results
- 1.0368055 - 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 - 2.0331337 - ÚOCHB 2011 RIV GB eng J - Journal Article
Pulido, A. - Delgado, M. R. - Bludský, Ota - Rubeš, Miroslav - Nachtigall, Petr - Areán, C. O.
Combined FT-IR Spectroscopic and DFT Theoretical Study on Carbon Dioxide Adsorption on the Zeolite H-FER.
Energy & Environmental Science. Roč. 2, č. 11 (2009), s. 1187-1195. ISSN 1754-5692. E-ISSN 1754-5706
R&D Projects: GA ČR GA203/09/0143; GA MŠMT LC512
Institutional research plan: CEZ:AV0Z40550506
Keywords : DFT * FTIR
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 8.500, year: 2009
Permanent Link: http://hdl.handle.net/11104/0176874 - 3.0331256 - ÚOCHB 2010 RIV US eng J - Journal Article
Pulido, Maria Angeles - Nachtigall, Petr - Pérez-Dominguez, Irene - Zukal, Arnošt - Čejka, Jiří
Adsorption of CO2 on Sodium-Exchanged Ferrierites: The Bridged CO2 Complexes Formed between Two Extraframework Cations.
Journal of Physical Chemistry C. Roč. 113, č. 7 (2009), s. 2928-2935. ISSN 1932-7447. E-ISSN 1932-7455
R&D Projects: GA ČR GA203/06/0324; GA MŠMT LC512; GA ČR GA203/08/0604
Institutional research plan: CEZ:AV0Z40550506; CEZ:AV0Z40400503
Keywords : zeolites * CO2 capture * adsorption
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 4.224, year: 2009
Permanent Link: http://hdl.handle.net/11104/0176823 - 4.0331253 - ÚOCHB 2010 RIV US eng J - Journal Article
Bulánek, R. - Voleská, I. - Ivanova, E. - Hadjiivanov, K. - Nachtigall, Petr
Localization and Coordination of Mg2+ Cations in Ferrierite: Combined FTIR Spectroscopic and Computation Investigation of CO Adsorption Complexes.
Journal of Physical Chemistry C. Roč. 113, č. 25 (2009), s. 11066-11076. ISSN 1932-7447. E-ISSN 1932-7455
R&D Projects: GA ČR GA203/06/0324; GA ČR GA203/09/0143; GA MŠMT LC512
Institutional research plan: CEZ:AV0Z40550506
Keywords : FTIR * DFT * Mg-FER
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 4.224, year: 2009
Permanent Link: http://hdl.handle.net/11104/0176820 - 5.0331220 - ÚOCHB 2010 RIV DE eng J - Journal Article
Pulido, Maria Angeles - Nachtigall, Petr - Delgado, M. R. - Areán, C. O.
Computational and variable temperature infrared spectroscopic studies on carbon monoxide adsorption on the zeolite Ca-A.
ChemPhysChem. Roč. 10, č. 7 (2009), s. 1058-1065. ISSN 1439-4235. E-ISSN 1439-7641
R&D Projects: GA ČR GA203/06/0324; GA MŠMT LC512
Institutional research plan: CEZ:AV0Z40550506
Keywords : DFT * FTIR
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 3.453, year: 2009
Permanent Link: http://hdl.handle.net/11104/0176795 - 6.0331212 - ÚOCHB 2010 RIV GB eng J - Journal Article
Pulido, Maria Angeles - Nachtigall, Petr
Theoretical investigation of dinitrosyl complexes in Cu-zeolites as intermediates in deNOx process.
Physical Chemistry Chemical Physics. Roč. 11, č. 9 (2009), s. 1447-1458. ISSN 1463-9076. E-ISSN 1463-9084
R&D Projects: GA ČR GA203/06/0324; GA MŠMT LC512
Institutional research plan: CEZ:AV0Z40550506
Keywords : zeolites * deNOx * DFT
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 4.116, year: 2009
Permanent Link: http://hdl.handle.net/11104/0176791 - 7.0326297 - ÚOCHB 2010 RIV US eng J - Journal Article
Rubeš, Miroslav - Nachtigall, Petr - Vondrášek, Jiří - Bludský, Ota
Structure and stability of the water - graphite complexes.
Journal of Physical Chemistry C. Roč. 113, č. 19 (2009), s. 8412-8419. ISSN 1932-7447. E-ISSN 1932-7455
R&D Projects: GA MŠMT LC512; GA AV ČR IAA400550613
Institutional research plan: CEZ:AV0Z40550506
Keywords : water-graphite * DFT * coupled-cluster calculations * interaction energy
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 4.224, year: 2009
Permanent Link: http://hdl.handle.net/11104/0173439 - 8.0322696 - ÚOCHB 2009 RIV GB eng J - Journal Article
Nachtigall, Petr - Bludský, Ota - Grajciar, Lukáš - Nachtigallová, Dana - Delgado, M. R. - Areán, C. O.
Computational and FTIR spectroscopic studies on carbon monoxide and dinitrogen adsorption on a high-silica H-FER zeolite.
[Výpočetní a FTIR spektroskopická studie adsorpce CO a N2 na vysokosilikátovém zeolitu H-FER.]
Physical Chemistry Chemical Physics. Roč. 11, č. 5 (2009), s. 791-802. ISSN 1463-9076. E-ISSN 1463-9084
R&D Projects: GA ČR GA203/06/0324; GA MŠMT LC512
Institutional research plan: CEZ:AV0Z40550506
Keywords : zeolite * adsorption * vibrational dynamics
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 4.116, year: 2009
Permanent Link: http://hdl.handle.net/11104/0170877 - 9.0316148 - ÚOCHB 2009 RIV NL eng J - Journal Article
Bulánek, R. - Frolich, K. - Areán, C. O. - Nachtigallová, Dana - Nachtigall, Petr
Vibrational dynamics of small molecules adsorbed on cation sites in zeolite channel systems: IR and DFT investigation.
[Vibrační dynamika malých molekul adsorbovaných v kanálech zeolitů: IR a DFT studie.]
Studies in Surface Science and Catalysis. Roč. 174, č. 2 (2008), s. 869-872. ISSN 0167-2991
R&D Projects: GA MŠMT LC512; GA ČR GA203/06/0324
Institutional research plan: CEZ:AV0Z40550506
Keywords : vibrational dynamics * adsorption * DFT
Subject RIV: CF - Physical ; Theoretical Chemistry
Permanent Link: http://hdl.handle.net/11104/0166154 - 10.0316098 - ÚOCHB 2009 RIV NL eng J - Journal Article
Bulánek, R. - Nachtigall, Petr - Cicmanec, P.
Combined TPD and theoretical investigation of CO desorption from Cu-K-FER zeolite.
[Kombinovaná teoretická a TPD studie desorbce CO ze zeolitu Cu-K-FER.]
Studies in Surface Science and Catalysis. Roč. 174, č. 2 (2008), s. 895-898. ISSN 0167-2991
R&D Projects: GA MŠMT LC512; GA ČR GA203/06/0324
Institutional research plan: CEZ:AV0Z40550506
Keywords : zeolite * adsorption * TPD
Subject RIV: CF - Physical ; Theoretical Chemistry
Permanent Link: http://hdl.handle.net/11104/0166123