Publications by authors named "Miroslav Rubes"

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Low-temperature oxidation of hexagonal boron nitride during oxidative dehydrogenation reactions.
Mehran Sajad, Kateřina Knotková, Roman Bulánek, Ota Bludský, Miroslav Rubeš

Sci Rep· July 2025

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Investigation of Brønsted acidity in zeolites through adsorbates with diverse proton affinities.
Michal Trachta, Ota Bludský, Jan Vaculík, Roman Bulánek, Miroslav Rubeš

Sci Rep· July 2023

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Brønsted acidity in zeolites measured by deprotonation energy.
Michal Trachta, Roman Bulánek, Ota Bludský, Miroslav Rubeš

Sci Rep· May 2022

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Toward accurate ab initio modeling of siliceous zeolite structures.
Michal Trachta, Miroslav Rubeš, Ota Bludský

J Chem Phys· March 2022

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The effect of the zeolite pore size on the Lewis acid strength of extra-framework cations.
Ho Viet Thang, Karel Frolich, Mariya Shamzhy, Pavla Eliášová, Miroslav Rubeš

Phys Chem Chem Phys· July 2016

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Accurate ab initio description of adsorption on coordinatively unsaturated Cu(2+) and Fe(3+) sites in MOFs.
Lukáš Grajciar, Petr Nachtigall, Ota Bludský, Miroslav Rubeš

J Chem Theory Comput· January 2015

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Computational investigation of the Lewis acidity in three-dimensional and corresponding two-dimensional zeolites: UTL vs IPC-1P.
Ho Viet Thang, Miroslav Rubeš, Ota Bludský, Petr Nachtigall

J Phys Chem A· September 2014

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Measuring the Brønsted acid strength of zeolites--does it correlate with the O-H frequency shift probed by a weak base?
Carlos O Arean, Montserrat R Delgado, Petr Nachtigall, Ho Viet Thang, Miroslav Rubeš

Phys Chem Chem Phys· June 2014

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Combined theoretical and experimental investigation of CO adsorption on coordinatively unsaturated sites in CuBTC MOF.
Miroslav Rubeš, Lukáš Grajciar, Ota Bludský, Andrew D Wiersum, Philip L Llewellyn

Chemphyschem· February 2012

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Accurate description of argon and water adsorption on surfaces of graphene-based carbon allotropes.
Jiří Kysilka, Miroslav Rubeš, Lukáš Grajciar, Petr Nachtigall, Ota Bludský

J Phys Chem A· October 2011

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Self-organization of 1-methylnaphthalene on the surface of artificial snow grains: a combined experimental-computational approach.
Dominik Heger, Dana Nachtigallová, František Surman, Ján Krausko, Beata Magyarová

J Phys Chem A· October 2011

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DFT/CC investigation of physical adsorption on a graphite (0001) surface.
Miroslav Rubes, Jirí Kysilka, Petr Nachtigall, Ota Bludský

Phys Chem Chem Phys· June 2010

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Experimental and theoretical determination of adsorption heats of CO(2) over alkali metal exchanged ferrierites with different Si/Al ratio.
Arnost Zukal, Angeles Pulido, Barbara Gil, Petr Nachtigall, Ota Bludský, Miroslav Rubes

Phys Chem Chem Phys· June 2010

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Ab initio vibrational dynamics of molecular hydrogen on graphene: An effective interaction potential.
Vladimír Spirko, Miroslav Rubes, Ota Bludský

J Chem Phys· May 2010

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DFT/CCSD(T) investigation of the interaction of molecular hydrogen with carbon nanostructures.
Miroslav Rubes, Ota Bludský

Chemphyschem· August 2009

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Investigation of the benzene-naphthalene and naphthalene-naphthalene potential energy surfaces: DFT/CCSD(T) correction scheme.
Miroslav Rubes, Ota Bludský, Petr Nachtigall

Chemphyschem· August 2008

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Intermolecular pi-pi interactions in solids.
Miroslav Rubes, Ota Bludský

Phys Chem Chem Phys· May 2008

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Investigation of the benzene-dimer potential energy surface: DFT/CCSD(T) correction scheme.
Ota Bludský, Miroslav Rubes, Pavel Soldán, Petr Nachtigall

J Chem Phys· March 2008

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On the site-specificity of polycarbonyl complexes in Cu/zeolites: combined experimental and DFT study.
Roman Bulánek, Helena Drobná, Petr Nachtigall, Miroslav Rubes, Ota Bludský

Phys Chem Chem Phys· December 2006

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