QM-MM Approach to the Accurate Description of Slow Diffusion in Porous Materials
Trachta, Michal, Volný, Tomáš, Rubeš, Miroslav, Bulánek, Roman, Bludský, Ota
Published in Journal of physical chemistry. C (11.05.2023)
Published in Journal of physical chemistry. C (11.05.2023)
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Journal Article
Investigation of Brønsted acidity in zeolites through adsorbates with diverse proton affinities
Trachta, Michal, Bludský, Ota, Vaculík, Jan, Bulánek, Roman, Rubeš, Miroslav
Published in Scientific reports (31.07.2023)
Published in Scientific reports (31.07.2023)
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Journal Article
Accurate Description of Argon and Water Adsorption on Surfaces of Graphene-Based Carbon Allotropes
Kysilka, Jiří, Rubeš, Miroslav, Grajciar, Lukáš, Nachtigall, Petr, Bludský, Ota
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (20.10.2011)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (20.10.2011)
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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
Structure and Stability of the Water−Graphite Complexes
Rubeš, Miroslav, Nachtigall, Petr, Vondrášek, Jiří, Bludský, Ota
Published in Journal of physical chemistry. C (14.05.2009)
Published in Journal of physical chemistry. C (14.05.2009)
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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
Experimental and Theoretical Study of Propene Adsorption on K‑FER Zeolites: New Evidence of Bridged Complex Formation
Rubeš, Miroslav, Koudelková, Eva, de Oliveira Ramos, Francisca Solanea, Trachta, Michal, Bludský, Ota, Bulánek, Roman
Published in Journal of physical chemistry. C (22.03.2018)
Published in Journal of physical chemistry. C (22.03.2018)
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Journal Article
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
Adsorption of pentane isomers on metal-organic frameworks Cu-BTC and Fe-BTC
Zukal, Arnošt, Opanasenko, Maksym, Rubeš, Miroslav, Nachtigall, Petr, Jagiello, Jacek
Published in Catalysis today (01.04.2015)
Published in Catalysis today (01.04.2015)
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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
Adsorption of Propane and Propylene on CuBTC Metal–Organic Framework: Combined Theoretical and Experimental Investigation
Rubeš, Miroslav, Wiersum, Andrew D., Llewellyn, Philip L., Grajciar, Lukáš, Bludský, Ota, Nachtigall, Petr
Published in Journal of physical chemistry. C (30.05.2013)
Published in Journal of physical chemistry. C (30.05.2013)
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Journal Article