| Interactions, structure and properties in PLA/plasticized starch blends P Müller, J Bere, E Fekete, J Móczó, B Nagy, M Kállay, B Gyarmati, ... Polymer 103, 9-18, 2016 | 75 | 2016 |
| Proton affinity and enthalpy of formation of formaldehyde G Czakó, B Nagy, G Tasi, Á Somogyi, J Šimunek, J Noga, BJ Braams, ... International Journal of Quantum Chemistry 109 (11), 2393-2409, 2009 | 40 | 2009 |
| 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 |
| 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 |
| 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 |
| Similarity analysis of the conformational potential energy surface of n-pentane G Tasi, B Nagy, G Matisz, TS Tasi Computational and Theoretical Chemistry 963 (2-3), 378-383, 2011 | 16 | 2011 |
| Probing the importance of charge flux in force field modeling E Sedghamiz, B Nagy, F Jensen Journal of chemical theory and computation 13 (8), 3715-3721, 2017 | 14 | 2017 |
| Reviews in Computational Chemistry B Nagy, F Jensen, AL Parrill, KB Lipkowitz John Wiley & Sons, Ltd., 2017 | 14 | 2017 |
| Enthalpy Differences of the n-Pentane Conformers J Csontos, B Nagy, L Gyevi-Nagy, M Kállay, G Tasi Journal of Chemical Theory and Computation 12 (6), 2679-2688, 2016 | 11 | 2016 |
| Theoretical and Thermochemical Network Approaches To Determine the Heats of Formation for HO2 and Its Ionic Counterparts Á Ganyecz, J Csontos, B Nagy, M Kállay The Journal of Physical Chemistry A 119 (7), 1164-1176, 2015 | 11 | 2015 |
| Local decomposition of imaginary polarizabilities and dispersion coefficients I Harczuk, B Nagy, F Jensen, O Vahtras, H Ågren Physical Chemistry Chemical Physics 19 (30), 20241-20250, 2017 | 9 | 2017 |
| Structure, DFT based investigations on vibrational and nonlinear optical behavior of a new guanidinium cobalt thiocyanate complex H Triki, B Nagy, J Overgaard, F Jensen, S Kamoun Structural Chemistry 31, 103-114, 2020 | 8 | 2020 |
| Reply to “Comment on ‘Enthalpy Difference between Conformations of Normal Alkanes: Raman Spectroscopy Study of n-Pentane and n-Butane’” RM Balabin The Journal of Physical Chemistry A 114 (24), 6729-6730, 2010 | 8 | 2010 |
| Comment on “Causation or only correlation? Application of causal inference graphs for evaluating causality in nano-QSAR models” by N. Sizochenko, A. Gajewicz, J. Leszczynski … DA Tasi, J Csontos, B Nagy, Z Kónya, G Tasi Nanoscale 10 (44), 20863-20866, 2018 | 2 | 2018 |
| Correction to “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 117 (24), 5220-5220, 2013 | 1 | 2013 |
| Accurate ab initio heats of formation and standard molar entropies for several atmospherically important formyl derivatives B Nagy, J Csontos, M Kállay, G Tasi BOOK OF ABSTRACTS, 99, 0 | | |
