| Spectroscopic-network-assisted precision spectroscopy and its application to water R Tóbiás, T Furtenbacher, I Simkó, AG Császár, ML Diouf, FMJ Cozijn, ... Nature Communications 11 (1), 1708, 2020 | 53 | 2020 |
| Recommended ideal-gas thermochemical functions for heavy water and its substituent isotopologues I Simkó, T Furtenbacher, J Hrubý, NF Zobov, OL Polyansky, J Tennyson, ... Journal of Physical and Chemical Reference Data 46 (2), 2017 | 25 | 2017 |
| Rotational–vibrational resonance states AG Császár, I Simkó, T Szidarovszky, GC Groenenboom, T Karman, ... Physical Chemistry Chemical Physics 22 (27), 15081-15104, 2020 | 18 | 2020 |
| Network-based design of near-infrared Lamb-dip experiments and the determination of pure rotational energies of H218O at kHz accuracy ML Diouf, R Tóbiás, I Simkó, FMJ Cozijn, EJ Salumbides, W Ubachs, ... Journal of Physical and Chemical Reference Data 50 (2), 2021 | 17 | 2021 |
| Toward Automated Variational Computation of Rovibrational Resonances, Including a Case Study of the H2 Dimer I Simko, T Szidarovszky, AG Császár Journal of Chemical Theory and Computation 15 (7), 4156-4169, 2019 | 11 | 2019 |
| Reduced-dimensional vibrational models of the water dimer E Vogt, I Simkó, AG Császár, HG Kjaergaard The Journal of Chemical Physics 156 (16), 2022 | 10 | 2022 |
| A quantum‐chemical perspective on the laser‐induced alignment and orientation dynamics of the CH3X (X = F, Cl, Br, I) molecules I Simkó, K Chordiya, AG Császár, MU Kahaly, T Szidarovszky Journal of Computational Chemistry 43 (8), 519-538, 2022 | 7 | 2022 |
| HCl trimer: HCl-stretch excited intramolecular and intermolecular vibrational states from 12D fully coupled quantum calculations employing contracted intra-and inter-molecular … I Simkó, PM Felker, Z Bačić The Journal of Chemical Physics 160 (16), 2024 | 5 | 2024 |
| Quantum chemical investigation of the cold water dimer spectrum in the first OH-stretching overtone region provides a new interpretation E Vogt, I Simkó, AG Császár, HG Kjaergaard The Journal of Physical Chemistry A 127 (45), 9409-9418, 2023 | 4 | 2023 |
| Quantum-Chemical and Quantum-Graph Models of the Dynamical Structure of CH5+ I Simkó, C Fábri, AG Császár Journal of chemical theory and computation 19 (1), 42-50, 2022 | 4 | 2022 |
| Achieving high molecular alignment and orientation for CHF through manipulation of rotational states with varying optical and THz laser pulse parameters K Chordiya, I Simkó, T Szidarovszky, M Upadhyay Kahaly Scientific Reports 12 (1), 8280, 2022 | 4 | 2022 |
| Quantum nuclear delocalization and its rovibrational fingerprints I Simkó, C Schran, F Brieuc, C Fábri, O Asvany, S Schlemmer, D Marx, ... Angewandte Chemie International Edition 62 (41), e202306744, 2023 | 3 | 2023 |
| Joint survey of the experimental high-resolution spectra of H16O37Cl and H16O35Cl with a reanalysis of the 2ν2 band G Ecseri, I Simkó, T Furtenbacher, B Rácsai, L Fusina, G Di Lonardo, ... Journal of Molecular Spectroscopy 397, 111834, 2023 | 2 | 2023 |
| Intermolecular Bending States and Tunneling Splittings of Water Trimer from Rigorous 9D Quantum Calculations: I. Methodology, Energy Levels, and Low-Frequency Spectrum PM Felker, I Simkó, Z Bačić The Journal of Physical Chemistry A 128 (38), 8170-8189, 2024 | 1 | 2024 |
| H2O trimer: Rigorous 12D quantum calculations of intermolecular vibrational states, tunneling splittings, and low-frequency spectrum I Simkó, PM Felker, Z Bačić The Journal of Chemical Physics 162 (3), 2025 | | 2025 |
| High-resolution leak-out spectroscopy of HHe 2+ T Salomon, C Baddeliyanage, C Schladt, I Simkó, AG Császár, ... Physical Chemistry Chemical Physics, 2025 | | 2025 |
| Unusual Dynamics and Vibrational Fingerprints of van der Waals Dimers Formed by Linear Molecules and Rare-Gas Atoms R Tóbiás, I Simkó, AG Császár Journal of Chemical Theory and Computation 19 (23), 8767-8781, 2023 | | 2023 |
| Structure And Dynamics Of Hhe3+: The Emergence Of Large-scale Nuclear Delocalization I Simkó International Symposium on Molecular Spectroscopy, 2022 | | 2022 |
| Manipulation of Rotational States With Varying Pulse Parameter: Achieving High Molecular Alignment and Orientation for CH3F K Chordiya, I Simkó, T Szidarovszky, MU Kahaly | | 2022 |
| Spectroscopic-network-assisted Precision Spectroscopy And Its Application To Water: Theoretical Framework I Simkó International Symposium on Molecular Spectroscopy, 2021 | | 2021 |
