| Reactivity models of hydrogen activation by frustrated Lewis pairs: synergistic electron transfers or polarization by electric field? TA Rokob, I Bako, A Stirling, A Hamza, I Papai Journal of the American Chemical Society 135 (11), 4425-4437, 2013 | 237 | 2013 |
| Car–Parrinello molecular dynamics simulation of the hydrated calcium ion I Bako, J Hutter, G Palinkas The Journal of chemical physics 117 (21), 9838-9843, 2002 | 200 | 2002 |
| Solvation of calcium ion in polar solvents: An X-ray diffraction and ab initio study T Megyes, T Grósz, T Radnai, I Bakó, G Pálinkás The Journal of Physical Chemistry A 108 (35), 7261-7271, 2004 | 183 | 2004 |
| LKP model of the inhibition mechanism of thiourea compounds I Lukovits, K Palfi, I Bako, E Kalman Corrosion 53 (12), 1997 | 164 | 1997 |
| The structure of aqueous sodium hydroxide solutions: A combined solution x-ray diffraction and simulation study T Megyes, S Bálint, T Grósz, T Radnai, I Bakó, P Sipos The Journal of chemical physics 128 (4), 2008 | 161 | 2008 |
| Water–methanol mixtures: topology of hydrogen bonded network I Bakó, T Megyes, S Bálint, T Grósz, V Chihaia Physical Chemistry Chemical Physics 10 (32), 5004-5011, 2008 | 152 | 2008 |
| Polynomial model of the inhibition mechanism of thiourea derivatives I Lukovits, I Bakó, A Shaban, E Kálmán Electrochimica Acta 43 (1-2), 131-136, 1998 | 130 | 1998 |
| Corrosion Inhibition by 1‐hydroxy‐ethane‐1, 1‐diphosphonic acid: an electrochemical impedance spectroscopy study E Kalman, B Varhegyi, I Bako, I Felhősi, FH Karman, A Shaban Journal of the Electrochemical Society 141 (12), 3357, 1994 | 120 | 1994 |
| X-ray diffraction and DOSY NMR characterization of self-assembled supramolecular metallocyclic species in solution T Megyes, H Jude, T Grósz, I Bakó, T Radnai, G Tárkányi, G Pálinkás, ... Journal of the American Chemical Society 127 (30), 10731-10738, 2005 | 104 | 2005 |
| Ethylene glycol dimers in the liquid phase: A study by x-ray and neutron diffraction I Bakó, T Grósz, G Pálinkás, MC Bellissent-Funel The Journal of chemical physics 118 (7), 3215-3221, 2003 | 99 | 2003 |
| Ion pairing in aqueous calcium chloride solution: Molecular dynamics simulation and diffraction studies T Megyes, I Bakó, S Bálint, T Grósz, T Radnai Journal of molecular liquids 129 (1-2), 63-74, 2006 | 89 | 2006 |
| Solution Structure of NaNO3 in Water: Diffraction and Molecular Dynamics Simulation Study T Megyes, S Bálint, E Peter, T Grósz, I Bakó, H Krienke, ... The Journal of Physical Chemistry B 113 (13), 4054-4064, 2009 | 88 | 2009 |
| Molecular dynamics simulation and X—ray diffraction studies of ethylene carbonate, propylene carbonate and dimethyl carbonate in liquid phase JC Soetens, C Millot, B Maigret, I Bakó Journal of Molecular Liquids 92 (3), 201-216, 2001 | 88 | 2001 |
| CO adsorption and CO and O coadsorption on Rh (111) studied by reflection absorption infrared spectroscopy and density functional theory G Krenn, I Bako, R Schennach The Journal of chemical physics 124 (14), 2006 | 80 | 2006 |
| Molecular dynamics investigation of the inter-and intramolecular motions in liquid methanol and methanol-water mixtures G Pálinkás, I Bakó, K Heinzinger, P Bopp Molecular Physics 73 (4), 897-915, 1991 | 78 | 1991 |
| Hydrogen bond network topology in liquid water and methanol: a graph theory approach I Bakó, Á Bencsura, K Hermannson, S Bálint, T Grósz, V Chihaia, J Oláh Physical Chemistry Chemical Physics 15 (36), 15163-15171, 2013 | 77 | 2013 |
| Hydrogen bonding in liquid methanol, methylamine, and methanethiol studied by molecular-dynamics simulations T Kosztolányi, I Bakó, G Pálinkás The Journal of chemical physics 118 (10), 4546-4555, 2003 | 77 | 2003 |
| Association of frustrated phosphine–borane pairs in toluene: molecular dynamics simulations I Bakó, A Stirling, S Bálint, I Pápai Dalton Transactions 41 (30), 9023-9025, 2012 | 72 | 2012 |
| Structural investigation of water–acetonitrile mixtures: An ab initio, molecular dynamics and X-ray diffraction study I Bakó, T Megyes, G Pálinkás Chemical physics 316 (1-3), 235-244, 2005 | 71 | 2005 |
| Hydrogen bonded network properties in liquid formamide I Bakó, T Megyes, S Bálint, V Chihaia, MC Bellissent-Funel, H Krienke, ... The Journal of chemical physics 132 (1), 2010 | 70 | 2010 |
