| The MRCC program system: Accurate quantum chemistry from water to proteins M Kállay, PR Nagy, D Mester, Z Rolik, G Samu, J Csontos, J Csóka, ... The Journal of chemical physics 152 (7), 2020 | 298 | 2020 |
| MRCC, a quantum chemical program suite M Kállay, Z Rolik, J Csontos, I Ladjánszki, L Szegedy, B Ladóczki, ... URL: http://www. mrcc. hu, accessed August 26th 56, 2016 | 258 | 2016 |
| Optimization of diagnostic microarray for application in analysing landfill methanotroph communities under different plant covers N Stralis‐Pavese, A Sessitsch, A Weilharter, T Reichenauer, J Riesing, ... Environmental Microbiology 6 (4), 347-363, 2004 | 232 | 2004 |
| High-accuracy thermochemistry of atmospherically important fluorinated and chlorinated methane derivatives J Csontos, Z Rolik, S Das, M Kallay The Journal of Physical Chemistry A 114 (50), 13093-13103, 2010 | 100 | 2010 |
| Enumeration of the conformers of unbranched aliphatic alkanes G Tasi, F Mizukami, I Pálinkó, J Csontos, W Győrffy, P Nair, K Maeda, ... The Journal of Physical Chemistry A 102 (39), 7698-7703, 1998 | 59 | 1998 |
| On the protonation of water A Bodi, J Csontos, M Kállay, S Borkar, B Sztáray Chemical Science 5 (8), 3057-3063, 2014 | 46 | 2014 |
| High-Throughput Analysis of Ammonia Oxidiser Community Composition via a Novel, amoA-Based Functional Gene Array GCJ Abell, SS Robert, DMF Frampton, JK Volkman, F Rizwi, J Csontos, ... PloS one 7 (12), e51542, 2012 | 40 | 2012 |
| High-accuracy theoretical thermochemistry of atmospherically important sulfur-containing molecules B Nagy, P Szakács, J Csontos, Z Rolik, G Tasi, M Kállay The Journal of Physical Chemistry A 115 (26), 7823-7833, 2011 | 39 | 2011 |
| Aromatic‐backbone interactions in model α‐helical peptides NY Palermo, J Csontos, MC Owen, RF Murphy, S Lovas Journal of Computational Chemistry 28 (7), 1208-1214, 2007 | 39 | 2007 |
| Mrcc, a quantum chemical program suite, 2019 M Kállay, PR Nagy, Z Rolik, D Mester, G Samu, J Csontos, J Csóka, ... For the current version, see: http://www. mrcc. hu, 2019 | 35 | 2019 |
| Calculation of weakly polar interaction energies in polypeptides using density functional and local Mřller‐Plesset perturbation theory J Csontos, NY Palermo, RF Murphy, S Lovas Journal of computational chemistry 29 (8), 1344-1352, 2008 | 35 | 2008 |
| High-accuracy theoretical thermochemistry of fluoroethanes B Nagy, B Csontos, J Csontos, P Szakács, M Kállay The Journal of Physical Chemistry A 118 (26), 4824-4836, 2014 | 33 | 2014 |
| Quantum algebraic–combinatoric study of the conformational properties of n-alkanes. II G Tasi, F Mizukami, J Csontos, W Győrffy, I Pálinkó Journal of Mathematical Chemistry 27, 191-199, 2000 | 32 | 2000 |
| High-accuracy theoretical thermochemistry of atmospherically important nitrogen oxide derivatives P Szakács, J Csontos, S Das, M Kállay The Journal of Physical Chemistry A 115 (14), 3144-3153, 2011 | 30 | 2011 |
| Moderate-Cost Ab Initio Thermochemistry with Chemical Accuracy Á Ganyecz, M Kállay, J Csontos Journal of Chemical Theory and Computation 13 (9), 4193-4204, 2017 | 26 | 2017 |
| High accuracy quantum chemical and thermochemical network data for the heats of formation of fluorinated and chlorinated methanes and ethanes Á Ganyecz, M Kállay, J Csontos The Journal of Physical Chemistry A 122 (28), 5993-6006, 2018 | 25 | 2018 |
| Dissociation of the fluorine molecule B Csontos, B Nagy, J Csontos, M Kállay The Journal of Physical Chemistry A 117 (26), 5518-5528, 2013 | 25 | 2013 |
| High-accuracy theoretical study on the thermochemistry of several formaldehyde derivatives B Nagy, J Csontos, M Kallay, G Tasi The Journal of Physical Chemistry A 114 (50), 13213-13221, 2010 | 24 | 2010 |
| Benchmarking experimental and computational thermochemical data: a case study of the butane conformers D Barna, B Nagy, J Csontos, AG Császár, G Tasi Journal of Chemical Theory and Computation 8 (2), 479-486, 2012 | 23 | 2012 |
| Quantum chemical quantification of weakly polar interaction energies in the TC5b miniprotein MPD Hatfield, NY Palermo, J Csontos, RF Murphy, S Lovas The Journal of Physical Chemistry B 112 (11), 3503-3508, 2008 | 21 | 2008 |
