Water Adsorption on Coordinatively Unsaturated Sites in CuBTC MOF
Grajciar, Lukáš, Bludský, Ota, Nachtigall, Petr
Published in The journal of physical chemistry letters (02.12.2010)
Published in The journal of physical chemistry letters (02.12.2010)
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Journal Article
Toward accurate ab initio modeling of siliceous zeolite structures
Trachta, Michal, Rubeš, Miroslav, Bludský, Ota
Published in The Journal of chemical physics (07.03.2022)
Published in The Journal of chemical physics (07.03.2022)
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Journal Article
Brønsted acidity in zeolites measured by deprotonation energy
Trachta, Michal, Bulánek, Roman, Bludský, Ota, Rubeš, Miroslav
Published in Scientific reports (04.05.2022)
Published in Scientific reports (04.05.2022)
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Journal Article
Investigation of the benzene-dimer potential energy surface: DFT/CCSD(T) correction scheme
Bludský, Ota, Rubes, Miroslav, Soldán, Pavel, Nachtigall, Petr
Published in The Journal of chemical physics (21.03.2008)
Published in The Journal of chemical physics (21.03.2008)
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Journal Article
The analysis of the BAS OH band in zeolites
Rubeš, Miroslav, Trachta, Michal, Vaculík, Jan, Bulánek, Roman, Bludský, Ota
Published in Microporous and mesoporous materials (01.08.2022)
Published in Microporous and mesoporous materials (01.08.2022)
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Journal Article
DFT/CC investigation of physical adsorption on a graphite (0001) surface
Rubes, Miroslav, Kysilka, Jirí, Nachtigall, Petr, Bludský, Ota
Published in Physical chemistry chemical physics : PCCP (01.01.2010)
Published in Physical chemistry chemical physics : PCCP (01.01.2010)
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Journal Article
Theoretical investigation of layered zeolite frameworks: Surface properties of 2D zeolites
Hermann, Jan, Trachta, Michal, Nachtigall, Petr, Bludský, Ota
Published in Catalysis today (15.05.2014)
Published in Catalysis today (15.05.2014)
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Journal Article
Conference Proceeding
The interaction of proteins with silica surfaces. Part II: Free energies of capped amino acids
Trachta, Michal, Bludský, Ota, Rubeš, Miroslav
Published in Computational and theoretical chemistry (15.01.2019)
Published in Computational and theoretical chemistry (15.01.2019)
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Journal Article
The interaction of proteins with silica surfaces. Part I: Ab initio modeling
Trachta, Michal, Bludský, Ota, Rubeš, Miroslav
Published in Computational and theoretical chemistry (01.10.2017)
Published in Computational and theoretical chemistry (01.10.2017)
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Journal Article
Computational Investigation of the Lewis Acidity in Three-Dimensional and Corresponding Two-Dimensional Zeolites: UTL vs IPC-1P
Thang, Ho Viet, Rubeš, Miroslav, Bludský, Ota, Nachtigall, Petr
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (04.09.2014)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (04.09.2014)
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Journal Article
Theoretical investigation of layered zeolite frameworks: Interaction between IPC-1P layers derived from zeolite UTL
Grajciar, Lukáš, Bludský, Ota, Roth, Wieslaw J., Nachtigall, Petr
Published in Catalysis today (15.04.2013)
Published in Catalysis today (15.04.2013)
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Journal Article
Conference Proceeding
Strong CO2 adsorption in narrow-pore ADOR zeolites: A combined experimental and computational study on IPC-12 and related structures
Trachta, Michal, Volný, Tomáš, Bulánek, Roman, Koudelková, Eva, Halamek, Jakub, Rubeš, Miroslav, Shamzhy, Mariya, Mazur, Michal, Čejka, Jiří, Bludský, Ota
Published in Journal of CO2 utilization (01.08.2023)
Published in Journal of CO2 utilization (01.08.2023)
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Journal Article