| 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), 2008 | 232 | 2008 |
| Water adsorption on coordinatively unsaturated sites in CuBTC MOF L Grajciar, O Bludsky, P Nachtigall The Journal of Physical Chemistry Letters 1 (23), 3354-3359, 2010 | 216 | 2010 |
| 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 | 125 | 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 | 124 | 2010 |
| A b initio second‐ and fourth‐order Mo/ller–Plesset study on structure, stabilization energy, and stretching vibration of benzene⋅⋅⋅X (X=He,Ne,Ar,Kr … P Hobza, O Bludský, HL Selzle, EW Schlag The Journal of chemical physics 97 (1), 335-340, 1992 | 122 | 1992 |
| Amino groups in nucleic acid bases, aniline, aminopyridines, and aminotriazine are nonplanar: Results of correlated ab initio quantum chemical calculations and anharmonic … O Bludský, J Šponer, J Leszczynski, V Špirko, P Hobza The Journal of chemical physics 105 (24), 11042-11050, 1996 | 119 | 1996 |
| Reliable theoretical treatment of molecular clusters: Counterpoise-corrected potential energy surface and anharmonic vibrational frequencies of the water dimer P Hobza, O Bludský, S Suhai Physical Chemistry Chemical Physics 1 (13), 3073-3078, 1999 | 106 | 1999 |
| Adsorption of CO2 in FAU zeolites: Effect of zeolite composition HV Thang, L Grajciar, P Nachtigall, O Bludský, CO Areán, E Frýdová, ... Catalysis Today 227, 50-56, 2014 | 103 | 2014 |
| 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 | 92 | 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 | 89 | 2009 |
| The vibrational dynamics of carbon monoxide in a confined space—CO in zeolites D Nachtigallová, O Bludský, CO Areán, R Bulánek, P Nachtigall Physical Chemistry Chemical Physics 8 (42), 4849-4852, 2006 | 85 | 2006 |
| Computational and FTIR spectroscopic studies on carbon monoxide and dinitrogen adsorption on a high-silica H-FER zeolite P Nachtigall, O Bludský, L Grajciar, D Nachtigallova, MR Delgado, ... Physical Chemistry Chemical Physics 11 (5), 791-802, 2009 | 81 | 2009 |
| Theoretical investigation of CO interaction with copper sites in zeolites: Periodic DFT and hybrid quantum mechanical/interatomic potential function study O Bludský, M Silhan, P Nachtigall, T Bucko, L Benco, J Hafner The journal of physical chemistry B 109 (19), 9631-9638, 2005 | 81 | 2005 |
| Anharmonic treatment of the lowest-energy conformers of glycine: A theoretical study O Bludský, J Chocholoušová, J Vacek, F Huisken, P Hobza The Journal of Chemical Physics 113 (11), 4629-4635, 2000 | 81 | 2000 |
| Calculations of site-specific CO stretching frequencies for copper carbonyls with the “near spectroscopic accuracy”: CO interaction with Cu+/MFI O Bludský, M Šilhan, D Nachtigallová, P Nachtigall The Journal of Physical Chemistry A 107 (48), 10381-10388, 2003 | 80 | 2003 |
| 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 | 77 | 2011 |
| 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 | 57 | 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 | 56 | 2013 |
| Vibrational dynamics of the benzene… argon complex O Bludský, V S̆pirko, V Hrouda, P Hobza Chemical physics letters 196 (5), 410-416, 1992 | 55 | 1992 |
| Intermolecular π–π interactions in solids M Rubeš, O Bludský Physical Chemistry Chemical Physics 10 (19), 2611-2615, 2008 | 54 | 2008 |
Petr NachtigallProfessor of Physical Chemistry, Charles UniversityVerified email at natur.cuni.cz
