Search results
- 1.0521835 - ÚOCHB 2021 RIV NL eng J - Journal Article
Bulánek, R. - Koudelková, E. - Trachta, Michal - Bludský, Ota - Rubeš, Miroslav
Re-examining the interpretation of CO adsorbed on Lewis acid sites of alkali metal-exchanged MOR zeolite.
Microporous and Mesoporous Materials. Roč. 296, April (2020), č. článku 110007. ISSN 1387-1811. E-ISSN 1873-3093
R&D Projects: GA ČR(CZ) GA17-07642S
Institutional support: RVO:61388963
Keywords : CO * zeolites * Lewis acid sites * ab initio calculations * isosteric heats * IR spectra
OECD category: Physical chemistry
Impact factor: 5.455, year: 2020
Method of publishing: Limited access
https://www.sciencedirect.com/science/article/pii/S138718112030010X?via%3Dihub
Permanent Link: http://hdl.handle.net/11104/0306392 - 2.0517552 - ÚFCH JH 2020 RIV NL eng J - Journal Article
Ho, V. T. - Vaculík, J. - Přech, Jan - Kubů, Martin - Čejka, Jiří - Nachtigall, P. - Bulánek, R. - Grajciar, L.
The Bronsted acidity of three- and two-dimensional zeolites.
Microporous and Mesoporous Materials. Roč. 282, JUL 2019 (2019), s. 121-132. ISSN 1387-1811. E-ISSN 1873-3093
R&D Projects: GA ČR GA17-01440S; GA ČR(CZ) GA17-07642S
Grant - others:GA MŠk(CZ) LM2015042
Institutional support: RVO:61388955
Keywords : temperature infrared-spectroscopy * total-energy calculations * carbon-monoxide * ab-initio * surface-acidity * molecular-dynamics * hydroxyl-groups * co adsorption * p-31 nmr * sites * Bronsted acidity * Two-dimensional zeolite
OECD category: Physical chemistry
Impact factor: 4.551, year: 2019
Method of publishing: Limited access
Permanent Link: http://hdl.handle.net/11104/0302886File Download Size Commentary Version Access 0517552.pdf 2 2.8 MB Publisher’s postprint require - 3.0503933 - ÚOCHB 2020 RIV NL eng J - Journal Article
Bulánek, R. - Koudelková, E. - de Oliveira Ramos, F. S. - Trachta, Michal - Bludský, Ota - Rubeš, Miroslav - Čejka, J.
Experimental and theoretical study of propene adsorption on alkali metal exchanged FER zeolites.
Microporous and Mesoporous Materials. Roč. 280, May 15 (2019), s. 203-210. ISSN 1387-1811. E-ISSN 1873-3093
R&D Projects: GA ČR(CZ) GA17-07642S
Institutional support: RVO:61388963
Keywords : propene * zeolites * ab initio calculations * isosteric heats * IR spectra
OECD category: Physical chemistry
Impact factor: 4.551, year: 2019
Method of publishing: Limited access
https://www.sciencedirect.com/science/article/abs/pii/S138718111930071X?via%3Dihub
Permanent Link: http://hdl.handle.net/11104/0296761 - 4.0502101 - ÚOCHB 2020 RIV NL eng J - Journal Article
Trachta, Michal - Bludský, Ota - Rubeš, Miroslav
The interaction of proteins with silica surfaces. Part II: Free energies of capped amino acids.
Computational and Theoretical Chemistry. Roč. 1148, Jan 15 (2019), s. 38-43. ISSN 2210-271X. E-ISSN 1872-7999
R&D Projects: GA ČR(CZ) GA17-07642S; GA ČR GBP106/12/G015
Institutional support: RVO:61388963
Keywords : capped amino acids * silica * 2D zeolites * force-field parameterization * free energy
OECD category: Physical chemistry
Impact factor: 1.605, year: 2019
Method of publishing: Limited access
https://www.sciencedirect.com/science/article/pii/S2210271X18307345?via%3Dihub
Permanent Link: http://hdl.handle.net/11104/0296400 - 5.0498655 - ÚOCHB 2019 RIV US eng J - Journal Article
Rubeš, Miroslav - Trachta, Michal - Koudelková, E. - Bulánek, R. - Klimeš, J. - Nachtigall, P. - Bludský, Ota
Temperature Dependence of Carbon Monoxide Adsorption on a High-Silica H-FER Zeolite.
Journal of Physical Chemistry C. Roč. 122, č. 45 (2018), s. 26088-26095. ISSN 1932-7447. E-ISSN 1932-7455
R&D Projects: GA ČR(CZ) GA17-07642S
Institutional support: RVO:61388963
Keywords : acid strength * CO * N-2
OECD category: Physical chemistry
Impact factor: 4.309, year: 2018
Permanent Link: http://hdl.handle.net/11104/0291120 - 6.0489779 - ÚOCHB 2019 RIV US eng J - Journal Article
Rubeš, Miroslav - Koudelková, E. - Ramos, F. S. O. - Trachta, Michal - Bludský, Ota - Bulánek, R.
Experimental and Theoretical Study of Propene Adsorption on K-FER Zeolites: New Evidence of Bridged Complex Formation.
Journal of Physical Chemistry C. Roč. 122, č. 11 (2018), s. 6128-6136. ISSN 1932-7447. E-ISSN 1932-7455
R&D Projects: GA ČR(CZ) GA17-07642S
Institutional support: RVO:61388963
Keywords : carbon monoxide adsorption * dual cation sites * basis set convergence
OECD category: Physical chemistry
Impact factor: 4.309, year: 2018
Permanent Link: http://hdl.handle.net/11104/0284136