Investigation of the benzene-dimer potential energy surface: DFT/CCSD (T) correction scheme O Bludský, M Rubeš, P Soldán, P Nachtigall The Journal of chemical physics 128 (11), 114102, 2008 | 222 | 2008 |
Structure and stability of the water− graphite complexes M Rubes, P Nachtigall, J Vondrasek, O Bludsky The Journal of Physical Chemistry C 113 (19), 8412-8419, 2009 | 120 | 2009 |
Structure and Stability of the Water− Graphite Complexes M Rubeš, P Nachtigall, J Vondrášek, O Bludský The Journal of Physical Chemistry C 113 (19), 8412-8419, 2009 | 120 | 2009 |
DFT/CC investigation of physical adsorption on a graphite (0001) surface M Rubeš, J Kysilka, P Nachtigall, O Bludský Physical Chemistry Chemical Physics 12 (24), 6438-6444, 2010 | 118 | 2010 |
Experimental and theoretical determination of adsorption heats of CO 2 over alkali metal exchanged ferrierites with different Si/Al ratio A Zukal, A Pulido, B Gil, P Nachtigall, O Bludský, M Rubeš, J Čejka Physical Chemistry Chemical Physics 12 (24), 6413-6422, 2010 | 90 | 2010 |
Combined DFT/CC and IR spectroscopic studies on carbon dioxide adsorption on the zeolite H-FER A Pulido, MR Delgado, O Bludský, M Rubeš, P Nachtigall, CO Areán Energy & Environmental Science 2 (11), 1187-1195, 2009 | 88 | 2009 |
Accurate description of argon and water adsorption on surfaces of graphene-based carbon allotropes J Kysilka, M Rubes, L Grajciar, P Nachtigall, O Bludsky The Journal of Physical Chemistry A 115 (41), 11387-11393, 2011 | 76 | 2011 |
Measuring the Brřnsted acid strength of zeolites–does it correlate with the O–H frequency shift probed by a weak base? CO Arean, MR Delgado, P Nachtigall, HV Thang, M Rubeš, R Bulánek, ... Physical Chemistry Chemical Physics 16 (21), 10129-10141, 2014 | 70 | 2014 |
Catalysis by Dynamically Formed Defects in a Metal–Organic Framework Structure: Knoevenagel Reaction Catalyzed by Copper Benzene‐1, 3, 5‐tricarboxylate M Položij, M Rubeš, J Čejka, P Nachtigall ChemCatChem 6 (10), 2821-2824, 2014 | 62 | 2014 |
Investigation of the benzene–naphthalene and naphthalene–naphthalene potential energy surfaces: DFT/CCSD (T) correction scheme M Rubeš, O Bludský, P Nachtigall ChemPhysChem 9 (12), 1702-1708, 2008 | 54 | 2008 |
Adsorption of propane and propylene on CuBTC metal–organic framework: combined theoretical and experimental investigation M Rubes, AD Wiersum, PL Llewellyn, L Grajciar, O Bludsky, P Nachtigall The Journal of Physical Chemistry C 117 (21), 11159-11167, 2013 | 53 | 2013 |
DFT/CCSD (T) investigation of the interaction of molecular hydrogen with carbon nanostructures M Rubeš, O Bludský ChemPhysChem 10 (11), 1868-1873, 2009 | 53 | 2009 |
Self-organization of 1-methylnaphthalene on the surface of artificial snow grains: A combined experimental–computational approach D Heger, D Nachtigallová, F Surman, J Krausko, B Magyarová, ... The Journal of Physical Chemistry A 115 (41), 11412-11422, 2011 | 52 | 2011 |
Intermolecular π–π interactions in solids M Rubeš, O Bludský Physical Chemistry Chemical Physics 10 (19), 2611-2615, 2008 | 52 | 2008 |
Accurate Ab Initio Description of Adsorption on Coordinatively Unsaturated Cu2+ and Fe3+ Sites in MOFs L Grajciar, P Nachtigall, O Bludsky, M Rubes Journal of Chemical Theory and Computation 11 (1), 230-238, 2015 | 47 | 2015 |
Hydrogen adsorption on the zeolite Ca-A: DFT and FT-IR investigation CO Areán, GT Palomino, MRL Carayol, A Pulido, M Rubeš, O Bludský, ... Chemical Physics Letters 477 (1-3), 139-143, 2009 | 47 | 2009 |
Ab initio investigation of intermolecular interactions in solid benzene O Bludský, M Rubeš, P Soldán Physical Review B 77 (9), 092103, 2008 | 47 | 2008 |
Combined theoretical and experimental investigation of CO adsorption on coordinatively unsaturated sites in CuBTC MOF M Rubeš, L Grajciar, O Bludský, AD Wiersum, PL Llewellyn, P Nachtigall ChemPhysChem 13 (2), 488-495, 2012 | 45 | 2012 |
On the site-specificity of polycarbonyl complexes in Cu/zeolites: combined experimental and DFT study R Bulánek, H Drobná, P Nachtigall, M Rubeš, O Bludský Physical Chemistry Chemical Physics 8 (47), 5535-5542, 2006 | 41 | 2006 |
Adsorption of pentane isomers on metal-organic frameworks Cu-BTC and Fe-BTC A Zukal, M Opanasenko, M Rubeš, P Nachtigall, J Jagiello Catalysis Today 243, 69-75, 2015 | 38 | 2015 |