An improved potential energy surface and multi-temperature quasiclassical trajectory calculations of N2+ N2 dissociation reactions JD Bender, P Valentini, I Nompelis, Y Paukku, Z Varga, DG Truhlar, ... The Journal of chemical physics 143 (5), 2015 | 209 | 2015 |
Halogen acceptors in hydrogen bonding A Kovács, Z Varga Coordination chemistry reviews 250 (5-6), 710-727, 2006 | 198 | 2006 |
Global ab initio ground-state potential energy surface of N4 Y Paukku, KR Yang, Z Varga, DG Truhlar The Journal of chemical physics 139 (4), 2013 | 195 | 2013 |
Assessment of electronic structure methods for the determination of the ground spin states of Fe (II), Fe (III) and Fe (IV) complexes P Verma, Z Varga, JEMN Klein, CJ Cramer, L Que, DG Truhlar Physical Chemistry Chemical Physics 19 (20), 13049-13069, 2017 | 124 | 2017 |
Potential energy surfaces for O+ O2 collisions Z Varga, Y Paukku, DG Truhlar The Journal of chemical physics 147 (15), 2017 | 85 | 2017 |
Potential energy surfaces of quintet and singlet O4 Y Paukku, KR Yang, Z Varga, G Song, JD Bender, DG Truhlar The Journal of chemical physics 147 (3), 2017 | 74 | 2017 |
Vibrational Energy Transfer and Collision-Induced Dissociation in Collisions MS Grover, TE Schwartzentruber, Z Varga, DG Truhlar Journal of Thermophysics and Heat Transfer 33 (3), 797-807, 2019 | 66 | 2019 |
Potential energy surface of triplet O4 Y Paukku, Z Varga, DG Truhlar The Journal of chemical physics 148 (12), 2018 | 65 | 2018 |
Potential energy surface of triplet N2O2 Z Varga, R Meana-Pañeda, G Song, Y Paukku, DG Truhlar The Journal of chemical physics 144 (2), 2016 | 58 | 2016 |
Many-Body Permutationally Invariant Polynomial Neural Network Potential Energy Surface for N4 J Li, Z Varga, DG Truhlar, H Guo Journal of Chemical Theory and Computation 16 (8), 4822-4832, 2020 | 50 | 2020 |
Global triplet potential energy surfaces for the N2 (X1Σ)+ O (3P)→ NO (X2Π)+ N (4S) reaction W Lin, Z Varga, G Song, Y Paukku, DG Truhlar The Journal of chemical physics 144 (2), 2016 | 49 | 2016 |
Diabatic States of Molecules Y Shu, Z Varga, S Kanchanakungwankul, L Zhang, DG Truhlar The Journal of Physical Chemistry A 126 (7), 992–1018, 2022 | 48 | 2022 |
Multi-State Pair-Density Functional Theory JJ Bao, C Zhou, Z Varga, S Kanchanakungwankul, L Gagliardi, ... Faraday Discussions 224, 348-372, 2020 | 37 | 2020 |
Erratum:“Global ab initio ground-state potential energy surface of N4”[J. Chem. Phys. 139, 044309 (2013)] Y Paukku, KR Yang, Z Varga, DG Truhlar The Journal of chemical physics 140 (1), 2014 | 35 | 2014 |
On the effect of 4f electrons on the structural characteristics of lanthanide trihalides: computational and electron diffraction study of dysprosium trichloride G Lanza, Z Varga, M Kolonits, M Hargittai The Journal of chemical physics 128 (7), 2008 | 34 | 2008 |
Theoretical Study of the Structure and Bonding in ThC2 and UC2 P Pogány, A Kovács, Z Varga, FM Bickelhaupt, RJM Konings The Journal of Physical Chemistry A 116 (1), 747-755, 2012 | 33 | 2012 |
Quasilinear Molecule par Excellence, SrCl2: Structure from High‐Temperature Gas‐Phase Electron Diffraction and Quantum‐Chemical Calculations—Computed Structures of … Z Varga, G Lanza, C Minichino, M Hargittai Chemistry–A European Journal 12 (32), 8345-8357, 2006 | 33 | 2006 |
Long-Range Effects in Oligopeptides. A Theoretical Study of the β-Sheet Structure of Glyn (n = 2−10) V Horváth, Z Varga, A Kovács The Journal of Physical Chemistry A 108 (33), 6869-6873, 2004 | 31 | 2004 |
Water Catalysis of the Reaction of Methanol with OH Radical in the Atmosphere is Negligible J Wu, LG Gao, Z Varga, X Xu, W Ren, DG Truhlar Angewandte Chemie 132 (27), 10918-10922, 2020 | 28 | 2020 |
Substituent effects on long-range interactions in the β-sheet structure of oligopeptides V Horváth, Z Varga, A Kovács Journal of Molecular Structure: THEOCHEM 755 (1-3), 247-251, 2005 | 27 | 2005 |