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 - 2.0322696 - 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 - 3.0316148 - 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 - 4.0309593 - ÚOCHB 2009 RIV GB eng J - Journal Article
Nachtigallová, Dana - Vrbka, Luboš - Bludský, Ota - Nachtigall, Petr
Interaction of acetonitrile with Na-zeolites: adsorption modes and vibrational dynamics in the zeolite channels and cavities.
[Interkce acetonitrilu s Na-zeolity: typy adsorpčních komplexů a vibrační dynamika v kanálech a kavitách zeolitů.]
Physical Chemistry Chemical Physics. Roč. 10, č. 28 (2008), s. 4189-4198. ISSN 1463-9076. E-ISSN 1463-9084
R&D Projects: GA MŠMT LC512; GA AV ČR IAA400550613
Institutional research plan: CEZ:AV0Z40550506
Keywords : zeolite * DFT * vibrational dynamics
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 4.064, year: 2008
Permanent Link: http://hdl.handle.net/11104/0161678 - 5.0047109 - ÚOCHB 2007 RIV GB eng J - Journal Article
Bulánek, R. - Drobná, H. - Nachtigall, Petr - Rubeš, Miroslav - Bludský, Ota
On the site-specificity of polycarbonyl complexes in Cu/zeolites: combined experimental and DFT study.
[Experimentální a teoretické studium polykarbonylových komplexů v Cu-zeolitech.]
Physical Chemistry Chemical Physics. Roč. 8, č. 47 (2006), s. 5535-5542. ISSN 1463-9076. E-ISSN 1463-9084
R&D Projects: GA MŠMT(CZ) LC512; GA AV ČR(CZ) IAA400550613; GA ČR(CZ) GA203/06/0324
Institutional research plan: CEZ:AV0Z40550506
Keywords : vibrational dynamics * IR spectroscopy * periodic DFT
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 2.892, year: 2006
Permanent Link: http://hdl.handle.net/11104/0138113 - 6.0043637 - ÚOCHB 2007 RIV US eng J - Journal Article
Garrone, E. - Bulánek, R. - Frolich, K. - Areán, C. O. - Delgado, M. R. - Palomino, G. T. - Nachtigallová, Dana - Nachtigall, Petr
Single and dual cation sites in zeolites: Theoretical calculations and FTIR spectroscopic studies on CO adsorption on K-FER.
[Single a duální kationtové pozice v zeolitech: Teoretická a FTIR studie adsorbce CO v zeolitu K-FER.]
Journal of Physical Chemistry B. Roč. 110, č. 45 (2006), s. 22542-22550. ISSN 1520-6106. E-ISSN 1520-5207
R&D Projects: GA MŠMT(CZ) LC512; GA ČR(CZ) GA203/06/0324
Institutional research plan: CEZ:AV0Z40550506
Keywords : vibrational dynamics * IR spectroscopy * periodic DFT
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 4.115, year: 2006
Permanent Link: http://hdl.handle.net/11104/0003702 - 7.0043631 - ÚOCHB 2007 RIV GB eng J - Journal Article
Nachtigallová, Dana - Bludský, Ota - Areán, C. O. - Bulánek, R. - Nachtigall, Petr
The vibrational dynamics of carbon monoxide in a confined space-CO in zeolites.
[Vibrační dynamika oxidu uhelnatého v omezeném prostoru mikropópů zeolitů.]
Physical Chemistry Chemical Physics. Roč. 8, č. 42 (2006), s. 4849-4852. ISSN 1463-9076. E-ISSN 1463-9084
R&D Projects: GA MŠMT(CZ) LC512; GA ČR(CZ) GA203/06/0324
Institutional research plan: CEZ:AV0Z40550506
Keywords : vibrational dynamics * IR spectroscopy * modeling
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 2.892, year: 2006
Permanent Link: http://hdl.handle.net/11104/0136569