| Modeling the formation and growth of atmospheric molecular clusters: A review J Elm, J Kubečka, V Besel, MJ Jääskeläinen, R Halonen, T Kurten, ... Journal of Aerosol Science 149, 105621, 2020 | 142 | 2020 |
| Configurational sampling of noncovalent (atmospheric) molecular clusters: Sulfuric acid and guanidine J Kubecka, V Besel, T Kurtén, N Myllys, H Vehkamaki The Journal of Physical Chemistry A 123 (28), 6022-6033, 2019 | 82 | 2019 |
| Role of base strength, cluster structure and charge in sulfuric-acid-driven particle formation N Myllys, J Kubečka, V Besel, D Alfaouri, T Olenius, JN Smith, ... Atmospheric Chemistry and Physics 19 (15), 9753-9768, 2019 | 67 | 2019 |
| Intersystem crossings drive atmospheric gas-phase dimer formation RR Valiev, G Hasan, VT Salo, J Kubecka, T Kurten The Journal of Physical Chemistry A 123 (30), 6596-6604, 2019 | 56 | 2019 |
| Impact of quantum chemistry parameter choices and cluster distribution model settings on modeled atmospheric particle formation rates V Besel, J Kubecka, T Kurten, H Vehkamaki The Journal of Physical Chemistry A 124 (28), 5931-5943, 2020 | 49 | 2020 |
| Comparing Reaction Routes for 3(RO···OR′) Intermediates Formed in Peroxy Radical Self- and Cross-Reactions G Hasan, VT Salo, RR Valiev, J Kubecka, T Kurten The Journal of Physical Chemistry A 124 (40), 8305-8320, 2020 | 47 | 2020 |
| Ion mobility-mass spectrometry of iodine pentoxide–iodic acid hybrid cluster Anions in dry and humidified atmospheres L Ahonen, C Li, J Kubecka, S Iyer, H Vehkamäki, T Petäjä, ... The journal of physical chemistry letters 10 (8), 1935-1941, 2019 | 35 | 2019 |
| Determination of the collision rate coefficient between charged iodic acid clusters and iodic acid using the appearance time method XC He, S Iyer, M Sipilä, A Ylisirniö, M Peltola, J Kontkanen, R Baalbaki, ... Aerosol Science and Technology 55 (2), 231-242, 2021 | 34 | 2021 |
| Quantum machine learning approach for studying atmospheric cluster formation J Kubecka, AS Christensen, FR Rasmussen, J Elm Environmental Science & Technology Letters 9 (3), 239-244, 2022 | 28 | 2022 |
| Hydration of atmospheric molecular clusters III: procedure for efficient free energy surface exploration of large hydrated clusters FR Rasmussen, J Kubecka, V Besel, H Vehkamaki, KV Mikkelsen, ... The Journal of Physical Chemistry A 124 (25), 5253-5261, 2020 | 24 | 2020 |
| Atmospheric sulfuric acid–multi-base new particle formation revealed through quantum chemistry enhanced by machine learning J Kubecka, I Neefjes, V Besel, F Qiao, HB Xie, J Elm The Journal of Physical Chemistry A 127 (9), 2091-2103, 2023 | 23 | 2023 |
| Quantum chemical modeling of organic enhanced atmospheric nucleation: A critical review J Elm, D Ayoubi, M Engsvang, AB Jensen, Y Knattrup, J Kubečka, ... Wiley Interdisciplinary Reviews: Computational Molecular Science 13 (5), e1662, 2023 | 22 | 2023 |
| Mean squared displacement from fluorescence correlation spectroscopy J Kubečka, F Uhlík, P Košovan Soft Matter 12 (16), 3760-3769, 2016 | 22 | 2016 |
| Massive assessment of the binding energies of atmospheric molecular clusters AB Jensen, J Kubecka, G Schmitz, O Christiansen, J Elm Journal of Chemical Theory and Computation 18 (12), 7373-7383, 2022 | 21 | 2022 |
| Photochemistry of nitrophenol molecules and clusters: Intra-vs intermolecular hydrogen bond dynamics K Grygoryeva, J Kubecka, A Pysanenko, J Lengyel, P Slavicek, M Farnik The Journal of Physical Chemistry A 120 (24), 4139-4146, 2016 | 21 | 2016 |
| Ionization energies in solution with the QM: QM approach Z Tóth, J Kubečka, E Muchová, P Slavíček Physical Chemistry Chemical Physics 22 (19), 10550-10560, 2020 | 20 | 2020 |
| Computational Tools for Handling Molecular Clusters: Configurational Sampling, Storage, Analysis, and Machine Learning J Kubecka, V Besel, I Neefjes, Y Knattrup, T Kurtén, H Vehkamäki, J Elm ACS Omega 8 (47), 45115-45128, 2023 | 13 | 2023 |
| New particle formation from the vapor phase: From barrier-controlled nucleation to the collisional limit KK Dingilian, M Lippe, J Kubečka, J Krohn, C Li, R Halonen, ... The journal of physical chemistry letters 12 (19), 4593-4599, 2021 | 13 | 2021 |
| Molecular Origin of the Sign Preference of Ion-Induced Heterogeneous Nucleation in a Complex Ionic Liquid–Diethylene Glycol System F Keshavarz, J Kubecka, M Attoui, H Vehkamaki, T Kurten, ... The Journal of Physical Chemistry C 124 (49), 26944-26952, 2020 | 13 | 2020 |
| Quantum chemical modeling of atmospheric molecular clusters involving inorganic acids and methanesulfonic acid M Engsvang, H Wu, Y Knattrup, J Kubečka, AB Jensen, J Elm Chemical Physics Reviews 4 (3), 2023 | 12 | 2023 |
Jonas ElmAssist. Prof., Department of Chemistry, Aarhus UniversityAdresse e-mail validée de chem.au.dk