| Gaussian density functional calculations on hydrogen-bonded systems F Sim, A St. Amant, I Papai, DR Salahub Journal of the American Chemical Society 114 (11), 4391-4400, 1992 | 580 | 1992 |
| Theoretical studies on the bifunctionality of chiral thiourea-based organocatalysts: competing routes to C− C bond formation A Hamza, G Schubert, T Soós, I Papai Journal of the American Chemical Society 128 (40), 13151-13160, 2006 | 537 | 2006 |
| Turning frustration into bond activation: a theoretical mechanistic study on heterolytic hydrogen splitting by frustrated Lewis pairs TA Rokob, A Hamza, A Stirling, T Soós, I Pápai Angewandte Chemie 120 (13), 2469-2472, 2008 | 445 | 2008 |
| A frustrated-Lewis-pair approach to catalytic reduction of alkynes to cis-alkenes K Chernichenko, Á Madarász, I Pápai, M Nieger, M Leskelä, T Repo Nature chemistry 5 (8), 718-723, 2013 | 406 | 2013 |
| Rationalizing the Reactivity of Frustrated Lewis Pairs: Thermodynamics of H2 Activation and the Role of Acid−Base Properties TA Rokob, A Hamza, I Pápai Journal of the American Chemical Society 131 (30), 10701-10710, 2009 | 336 | 2009 |
| On the Mechanism of B(C6F5)3-Catalyzed Direct Hydrogenation of Imines: Inherent and Thermally Induced Frustration TA Rokob, A Hamza, A Stirling, I Pápai Journal of the American Chemical Society 131 (5), 2029-2036, 2009 | 287 | 2009 |
| Expanding the Scope of Metal‐Free Catalytic Hydrogenation through Frustrated Lewis Pair Design G Erős, H Mehdi, I Pápai, TA Rokob, P Király, G Tárkányi, T Soós Angewandte Chemie International Edition 37 (49), 6559-6563, 2010 | 272 | 2010 |
| 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 | 240 | 2013 |
| Density functional study of nitrogen oxides A Stirling, I Pápai, J Mink, DR Salahub The Journal of chemical physics 100 (4), 2910-2923, 1994 | 227 | 1994 |
| Catalytic hydrogenation with frustrated Lewis pairs: selectivity achieved by size‐exclusion design of Lewis acids G Erős, K Nagy, H Mehdi, I Pápai, P Nagy, P Király, G Tárkányi, T Soós Chemistry–A European Journal 18 (2), 574-585, 2012 | 178 | 2012 |
| Mechanism of hydrogen activation by frustrated Lewis pairs: a molecular orbital approach A Hamza, A Stirling, T András Rokob, I Pápai International Journal of Quantum Chemistry 109 (11), 2416-2425, 2009 | 174 | 2009 |
| Moisture-tolerant frustrated Lewis pair catalyst for hydrogenation of aldehydes and ketones A Gyömöre, M Bakos, T Földes, I Pápai, A Domján, T Soós ACS Catalysis 5 (9), 5366-5372, 2015 | 160 | 2015 |
| Chiral molecular tweezers: synthesis and reactivity in asymmetric hydrogenation M Lindqvist, K Borre, K Axenov, B Kotai, M Nieger, M Leskela, I Papai, ... Journal of the American Chemical Society 137 (12), 4038-4041, 2015 | 160 | 2015 |
| Density functional methods in chemistry DR Salahub, R Fournier, P Mlynarski, I Papai, A St-Amant, J Ushio by JK Labanowski, JW Andzelm, Springer-Verlag, New York, 77, 1991 | 155 | 1991 |
| Influence of Al2O3 on the performance of CeO2 used as catalyst in the direct carboxylation of methanol to dimethylcarbonate and the elucidation of the reaction mechanism M Aresta, A Dibenedetto, C Pastore, A Angelini, B Aresta, I Pápai Journal of Catalysis 269 (1), 44-52, 2010 | 137 | 2010 |
| On the mechanism of bifunctional squaramide‐catalyzed organocatalytic Michael addition: a protonated catalyst as an oxyanion hole B Kótai, G Kardos, A Hamza, V Farkas, I Pápai, T Soós Chemistry–A European Journal 20 (19), 5631-5639, 2014 | 136 | 2014 |
| Metal-Free sp2-C–H Borylation as a Common Reactivity Pattern of Frustrated 2-Aminophenylboranes K Chernichenko, M Lindqvist, B Kotai, M Nieger, K Sorochkina, I Papai, ... Journal of the American Chemical Society 138 (14), 4860-4868, 2016 | 134 | 2016 |
| Hydrogen bonding in methyl-substituted pyridine− water complexes: A theoretical study I Pápai, G Jancsó The Journal of Physical Chemistry A 104 (10), 2132-2137, 2000 | 123 | 2000 |
| Mechanism of formation of organic carbonates from aliphatic alcohols and carbon dioxide under mild conditions promoted by carbodiimides. DFT calculation and experimental study M Aresta, A Dibenedetto, E Fracchiolla, P Giannoccaro, C Pastore, I Pápai, ... The Journal of Organic Chemistry 70 (16), 6177-6186, 2005 | 116 | 2005 |
| Intramolecular Frustrated Lewis Pair with the Smallest Boryl Site: Reversible H2 Addition and Kinetic Analysis K Chernichenko, B Kótai, I Pápai, V Zhivonitko, M Nieger, M Leskelä, ... Angewandte Chemie International Edition 54 (6), 1749-1753, 2015 | 115 | 2015 |
