List of Publications

Full list of publications

ResearcherID: J-1717-2016

ORCID: 0000-0003-3736-4329

Google scholar: scholar.google.dk/citations

Sortér efter: Dato | Forfatter | Titel

Elm, J., Myllys, N. & Kurten, T. (2017). What Is Required for Highly Oxidized Molecules To Form Clusters with Sulfuric Acid? The Journal of Physical Chemistry A, 121(23), 4578-4587. https://doi.org/10.1021/acs.jpca.7b03759

Knattrup, Y. & Elm, J. (2025). Uptake of organic vapours and nitric acid on atmospheric freshly nucleated particles. Aerosol Research, 3(1), 125-137. https://doi.org/10.5194/ar-3-125-2025

Elm, J. (2019). Unexpected Growth Coordinate in Large Clusters Consisting of Sulfuric Acid and C ₈ H ₁₂ O ₆ Tricarboxylic Acid. The Journal of Physical Chemistry A, 123(14), 3170-3175. https://doi.org/10.1021/acs.jpca.9b00428

Xie, H. B. & Elm, J. (2021). Tri-base synergy in sulfuric acid-base clusters. Atmosphere, 12(10), Artikel 1260. https://doi.org/10.3390/atmos12101260

Skov, A. B., Petersen, J. F., Elm, J., Frandsen, B. N., Santella, M., Kilde, M. D., Kjaergaard, H. G., Mikkelsen, K. V. & Nielsen, M. B. (2017). Towards Storage of Solar Energy in Photochromic Molecules: Benzannulation of the Dihydroazulene/ Vinylheptafulvene Couple. ChemPhotoChem, 1(5), 206-212. https://doi.org/10.1002/cptc.201600046

Cacciarini, M., Skov, A. B., Jevric, M., Hansen, A. S., Elm, J., Kjaergaard, H. G., Mikkelsen, K. V. & Nielsen, M. B. (2015). Towards Solar Energy Storage in the Photochromic Dihydroazulene-Vinylheptafulvene System. Chemistry - A European Journal, 21(20), 7454-7461. https://doi.org/10.1002/chem.201500100

Engsvang, M., Kubečka, J. & Elm, J. (2023). Toward Modeling the Growth of Large Atmospheric Sulfuric Acid-Ammonia Clusters. ACS Omega, 8(38), 34597-34609. https://doi.org/10.1021/acsomega.3c03521

Elm, J. (2021). Toward a Holistic Understanding of the Formation and Growth of Atmospheric Molecular Clusters: A Quantum Machine Learning Perspective. The Journal of Physical Chemistry A, 125(4), 895-902. https://doi.org/10.1021/acs.jpca.0c09762

Zhang, R., Shen, J., Xie, H. B., Chen, J. & Elm, J. (2022). The role of organic acids in new particle formation from methanesulfonic acid and methylamine. Atmospheric Chemistry and Physics, 22(4), 2639-2650. https://doi.org/10.5194/acp-22-2639-2022

Roldin, P., Ehn, M., Kurtén, T., Olenius, T., Rissanen, M. P., Sarnela, N., Elm, J., Rantala, P., Hao, L., Hyttinen, N., Heikkinen, L., Worsnop, D. R., Pichelstorfer, L., Xavier, C., Clusius, P., Öström, E., Petäjä, T., Kulmala, M., Vehkamäki, H. ... Boy, M. (2019). The role of highly oxygenated organic molecules in the Boreal aerosol-cloud-climate system. Nature Communications, 10(1), Artikel 4370. https://doi.org/10.1038/s41467-019-12338-8

Kubečka, J., Knattrup, Y., Trolle, G. B., Reischl, B., Lykke-Møller, A. S., Elm, J. & Neefjes, I. (2025). Thermodynamics of Molecular Binding and Clustering in the Atmosphere Revealed through Conventional and ML-Enhanced Umbrella Sampling. ACS Omega, 10(34), 39148-39161. https://doi.org/10.1021/acsomega.5c05634

Hyttinen, N., Elm, J., Malila, J., Calderón, S. M. & Prisle, N. L. (2020). Thermodynamic properties of isoprene-and monoterpene-derived organosulfates estimated with COSMOtherm. Atmospheric Chemistry and Physics, 20(9), 5679-5696. https://doi.org/10.5194/acp-20-5679-2020

Neefjes, I., Knattrup, Y., Wu, H., Trolle, G. B., Elm, J. & Kubečka, J. (2026). Thermodynamic benchmarking of hydrated atmospheric clusters in early particle formation. Aerosol Research, 4(1), 1-22. https://doi.org/10.5194/ar-4-1-2026

Pedersen, H. B., Elm, J., Frederiksen, C. H., Jessen, S. P. S., Teiwes, R. & Bilde, M. (2020). The reaction of isotope-substituted hydrated iodide I(H ¹⁸₂O)− with ozone: the reactive influence of the solvent water molecul. Physical Chemistry Chemical Physics, 22(34), 19080-19088. https://doi.org/10.1039/d0cp03219k

Teiwes, R., Elm, J., Bilde, M. & Pedersen, H. B. (2019). The reaction of hydrated iodide I(H₂O)^- with ozone: a new route to IO2− products. Physical Chemistry Chemical Physics, 21(32), 17546-17554. https://doi.org/10.1039/C9CP01734H

Hansen, M. H., Elm, J., Olsen, S. T., Gejl, A. N., Storm, F. E., Frandsen, B. N., Skov, A. B., Nielsen, M. B., Kjaergaard, H. G. & Mikkelsen, K. V. (2016). Theoretical Investigation of Substituent Effects on the Dihydroazulene/Vinylheptafulvene Photoswitch: Increasing the Energy Storage Capacity. The Journal of Physical Chemistry A, 120(49), 9782-9793. https://doi.org/10.1021/acs.jpca.6b09646

Elm, J., Myllys, N., Luy, J.-N., Kurten, T. & Vehkamaki, H. (2016). The Effect of Water and Bases on the Clustering of a Cyclohexene Autoxidation Product C6H8O7 with Sulfuric Acid. The Journal of Physical Chemistry A, 120(14), 2240-2249. https://doi.org/10.1021/acs.jpca.6b00677

Kristensen, K., N. Jensen, L., L. J. Quéléver, L., Christiansen, S., Rosati, B., Elm, J., Teiwes, R., B. Pedersen, H., Glasius, M., Ehn, M. & Bilde, M. (2020). The Aarhus Chamber Campaign on Highly Oxygenated Organic Molecules and Aerosols (ACCHA): Particle formation, organic acids, and dimer esters from α-pinene ozonolysis at different temperatures. Atmospheric Chemistry and Physics, 20(21), 12549-12567. https://doi.org/10.5194/acp-20-12549-2020

Hyttinen, N., Heshmatnezhad, R., Elm, J., Kurtén, T. & Prisle, N. L. (2020). Technical note: Estimating aqueous solubilities and activity coefficients of mono- And α,ω-dicarboxylic acids using COSMOtherm. Atmospheric Chemistry and Physics, 20(21), 13131-13143. https://doi.org/10.5194/acp-20-13131-2020

Bregnhøj, M., Strunge, K., Neefjes, I., Elm, J. & Weidner, T. (2026). Surface Spectroscopy Reveals Ordering and Alignment of Liquid Carbon Dioxide at Sapphire Interfaces. Journal of Physical Chemistry Letters, 17(10), 2969-2973. https://doi.org/10.1021/acs.jpclett.5c03771

Shen, J., Elm, J., Xie, H. B., Chen, J., Niu, J. & Vehkamäki, H. (2020). Structural Effects of Amines in Enhancing Methanesulfonic Acid-Driven New Particle Formation. Environmental Science & Technology, 54(21), 13498-13508. https://doi.org/10.1021/acs.est.0c05358

Elm, J., Jen, C. N., Kurten, T. & Vehkamaki, H. (2016). Strong Hydrogen Bonded Molecular Interactions between Atmospheric Diamines and Sulfuric Acid. The Journal of Physical Chemistry A, 120(20), 3693-3700. https://doi.org/10.1021/acs.jpca.6b03192

Elm, J., Hyttinen, N., Lin, J. J., Kurtén, T. & Prisle, N. L. (2019). Strong Even/Odd Pattern in the Computed Gas-Phase Stability of Dicarboxylic Acid Dimers: Implications for Condensation Thermodynamics. The Journal of Physical Chemistry A, 123(44), 9594-9599. https://doi.org/10.1021/acs.jpca.9b08020

Cai, R., Yin, R., Li, X., Xie, H. B., Yang, D., Kerminen, V. M., Smith, J. N., Ma, Y., Hao, J., Chen, J., Kulmala, M., Zheng, J., Jiang, J. & Elm, J. (2023). Significant contributions of trimethylamine to sulfuric acid nucleation in polluted environments. npj Climate and Atmospheric Science, 6(1), Artikel 75. https://doi.org/10.1038/s41612-023-00405-3

Wollesen De Jonge, R., Elm, J., Rosati, B., Christiansen, S., Hyttinen, N., Lüdemann, D., Bilde, M. & Roldin, P. (2021). Secondary aerosol formation from dimethyl sulfide-improved mechanistic understanding based on smog chamber experiments and modelling. Atmospheric Chemistry and Physics, 21(13), 9955-9976. https://doi.org/10.5194/acp-21-9955-2021

Knattrup, Y., Kubečka, J., Wu, H., Jensen, F. & Elm, J. (2024). Reparameterization of GFN1-xTB for atmospheric molecular clusters: applications to multi-acid-multi-base systems. RSC Advances, 14(28), 20048-20055. https://doi.org/10.1039/d4ra03021d

Olenius, T., Bergström, R., Kubečka, J., Myllys, N. & Elm, J. (2023). Reducing chemical complexity in representation of new-particle formation: evaluation of simplification approaches. Environmental Science: Atmospheres, 2023(3), 552-567. https://doi.org/10.1039/d2ea00174h

Becker, D., Heitland, J., Carlsson, P. T. M., Elm, J., Olenius, T., Tödter, S., Kharrazizadeh, A. & Zeuch, T. (2022). Real-time monitoring of aerosol particle formation from sulfuric acid vapor at elevated concentrations and temperatures. Physical Chemistry Chemical Physics, 24(8), 5001-5013. https://doi.org/10.1039/d1cp04580f

Elm, J., Norman, P. & Mikkelsen, K. V. (2015). Rayleigh light scattering properties of atmospheric molecular clusters consisting of sulfuric acid and bases. Physical Chemistry Chemical Physics, 17(24), 15701-15709. https://doi.org/10.1039/c5cp01012h

Elm, J., Lykkebo, J., Sorensen, T. J., Laursen, B. W. & Mikkelsen, K. V. (2011). Racemization Mechanisms and Electronic Circular Dichroism of [4]Heterohelicenium Dyes: A Theoretical Study. The Journal of Physical Chemistry A, 115(43), 12025-12033. https://doi.org/10.1021/jp206885h

Kubečka, J., Christensen, A. S., Rasmussen, F. R. & Elm, J. (2022). Quantum Machine Learning Approach for Studying Atmospheric Cluster Formation. Environmental Science & Technology Letters, 9(3), 239-244. https://doi.org/10.1021/acs.estlett.1c00997

Ma, F., Xie, H.-B., Elm, J., Shen, J., Chen, J. & Vehkamaki, H. (2019). Piperazine enhancing sulfuric acid-based new particle formation: implications for the atmospheric fate of piperazine. Environmental Science & Technology, 53(15), 8785-8795. https://doi.org/10.1021/acs.est.9b02117

Elm, J., Myllys, N. & Kurten, T. (2017). Phosphoric acid - a potentially elusive participant in atmospheric new particle formation. Molecular Physics, 115(17-18), 2168-2179. https://doi.org/10.1080/00268976.2016.1262558

Thomsen, D., Thomsen, L. D., Iversen, E. M., Björgvinsdóttir, T. N., Vinther, S. F., Skønager, J. T., Hoffmann, T., Elm, J., Bilde, M. & Glasius, M. (2022). Ozonolysis of α-Pinene and Δ³-Carene Mixtures: Formation of Dimers with Two Precursors. Environmental Science & Technology, 56(23), 16643-16651. https://doi.org/10.1021/acs.est.2c04786

Elm, J., Lykkebo, J., Sorensen, T. J., Laursen, B. W. & Mikkelsen, K. V. (2012). Obtaining Enhanced Circular Dichroism in [4]Heterohelicenium Analogues. The Journal of Physical Chemistry A, 116(34), 8744-8752. https://doi.org/10.1021/jp304997b

Knattrup, Y., Kubečka, J. & Elm, J. (2023). Nitric Acid and Organic Acids Suppress the Role of Methanesulfonic Acid in Atmospheric New Particle Formation. The Journal of Physical Chemistry A, 127(36), 7568-7578. https://doi.org/10.1021/acs.jpca.3c04393

Rosati, B., Christiansen, S., Wollesen De Jonge, R., Roldin, P., Jensen, M. M., Wang, K., Moosakutty, S. P., Thomsen, D., Salomonsen, C., Hyttinen, N., Elm, J., Feilberg, A., Glasius, M. & Bilde, M. (2021). New Particle Formation and Growth from Dimethyl Sulfide Oxidation by Hydroxyl Radicals. ACS Earth and Space Chemistry, 5(4), 801-811. https://doi.org/10.1021/acsearthspacechem.0c00333

Carlsson, P. T. M., Celik, S., Becker, D., Olenius, T., Elm, J. & Zeuch, T. (2020). Neutral Sulfuric Acid-Water Clustering Rates: Bridging the Gap between Molecular Simulation and Experiment. The Journal of Physical Chemistry Letters, 11(10), 4239-4244. https://doi.org/10.1021/acs.jpclett.0c01045

de Jonge, R. W., Xavier, C., Olenius, T., Elm, J., Svenhag, C., Hyttinen, N., Nieradzik, L., Sarnela, N., Kristensson, A., Petäjä, T., Ehn, M. & Roldin, P. (2024). Natural Marine Precursors Boost Continental New Particle Formation and Production of Cloud Condensation Nuclei. Environmental Science & Technology, 58(25), 10956-10968. https://doi.org/10.1021/acs.est.4c01891

Elm, J., Kubečka, J., Besel, V., Jääskeläinen, M. J., Halonen, R., Kurtén, T. & Vehkamäki, H. (2020). Modeling the formation and growth of atmospheric molecular clusters: A review. Journal of Aerosol Science, 149, Artikel 105621. https://doi.org/10.1016/j.jaerosci.2020.105621

Engsvang, M. & Elm, J. (2022). Modeling the Binding Free Energy of Large Atmospheric Sulfuric Acid-Ammonia Clusters. ACS Omega, 7(9), 8077-8083. https://doi.org/10.1021/acsomega.1c07303

Trolle, G. B., Kubečka, J. & Elm, J. (2026). Modeling the Aerosol Aqueous Phase: Solvation of Pyruvic Acid Analogs and Na⁺, Cl^–Ions. Journal of Physical Chemistry A, 130(5), 1175-1187. https://doi.org/10.1021/acs.jpca.5c07598

Trolle, G. B., Kubecka, J. & Elm, J. (2025). Modeling Local Aerosol Surface Environments: Clustering of Pyruvic Acid Analogs, Water, and Na+, Cl^_ Ions. ACS Omega, 10(1), 1470–1485. https://doi.org/10.1021/acsomega.4c09196

Bork, N., Elm, J., Olenius, T. & Vehkamaki, H. (2014). Methane sulfonic acid-enhanced formation of molecular clusters of sulfuric acid and dimethyl amine. Atmospheric Chemistry and Physics, 14(22), 12023-12030. https://doi.org/10.5194/acp-14-12023-2014

Shen, J., Xie, H.-B., Elm, J., Ma, F., Chen, J. & Vehkamaki, H. (2019). Methanesulfonic Acid-driven New Particle Formation Enhanced by Monoethanolamine: A Computational Study. Environmental Science & Technology, 53(24), 14387-14397. https://doi.org/10.1021/acs.est.9b05306

Zhao, Q., Xie, H. B., Ma, F., Nie, W., Yan, C., Huang, D., Elm, J. & Chen, J. (2023). Mechanism-based structure-activity relationship investigation on hydrolysis kinetics of atmospheric organic nitrates. npj Climate and Atmospheric Science, 6(1), Artikel 192. https://doi.org/10.1038/s41612-023-00517-w

Liu, C., Ma, F., Elm, J., Fu, Z., Tang, W., Chen, J. & Xie, H. B. (2019). Mechanism and predictive model development of reaction rate constants for N-center radicals with O₂. Chemosphere, 237, Artikel 124411. https://doi.org/10.1016/j.chemosphere.2019.124411

Jensen, A. B. & Elm, J. (2024). Massive Assessment of the Geometries of Atmospheric Molecular Clusters. Journal of Chemical Theory and Computation, 20(19), 8549–8558. https://doi.org/10.1021/acs.jctc.4c01046

Jensen, A. B., Kubečka, J., Schmitz, G., Christiansen, O. & Elm, J. (2022). Massive Assessment of the Binding Energies of Atmospheric Molecular Clusters. Journal of Chemical Theory and Computation, 18(12), 7373-7383. https://doi.org/10.1021/acs.jctc.2c00825

Fomete, S. K. W., Kubečka, J., Elm, J. & Jen, C. N. (2023). Limited Role of Malonic Acid in Sulfuric Acid-Dimethylamine New Particle Formation. ACS Omega, 8(22), 19807-19815. https://doi.org/10.1021/acsomega.3c01643

Thomsen, D., Elm, J., Rosati, B., Skønager, J. T., Bilde, M. & Glasius, M. (2021). Large Discrepancy in the Formation of Secondary Organic Aerosols from Structurally Similar Monoterpenes. ACS Earth and Space Chemistry, 5(3), 632-644. https://doi.org/10.1021/acsearthspacechem.0c00332

Sorensen, T. J., Hildebrandt, C. B., Elm, J., Andreasen, J. W., Madsen, A. O., Westerlund, F. & Laursen, B. W. (2012). Large area, soft crystalline thin films of N,N ',N ''-trialkyltriazatriangulenium salts with homeotropic alignment of the discotic cores in a lamellar lattice. Journal of Materials Chemistry, 22(11), 4797-4805. https://doi.org/10.1039/c2jm15954f

Engsvang, M. & Elm, J. (2025). Iodine Clusters in the Atmosphere II: Cluster Formation Potential of Iodine Oxyacids and Iodine Oxides. ACS Omega, 10(23), 24887-24896. https://doi.org/10.1021/acsomega.5c02147

Engsvang, M., Wu, H. & Elm, J. (2024). Iodine Clusters in the Atmosphere I: Computational Benchmark and Dimer Formation of Oxyacids and Oxides. ACS Omega, 9(29), 31521-31532. https://doi.org/10.1021/acsomega.4c01235

Wu, H., Engsvang, M., Knattrup, Y., Kubečka, J. & Elm, J. (2023). Improved Configurational Sampling Protocol for Large Atmospheric Molecular Clusters. ACS Omega, 8(47), 45065-45077. https://doi.org/10.1021/acsomega.3c06794

Rosati, B., Isokaanta, S., Christiansen, S., Jensen, M. M., Moosakutty, S. P., de Jonge, R. W., Massling, A., Glasius, M., Elm, J., Virtanen, A. & Bilde, M. (2022). Hygroscopicity and CCN potential of DMS-derived aerosol particles. Atmospheric Chemistry and Physics, 22(20), 13449-13466. https://doi.org/10.5194/acp-22-13449-2022

Rasmussen, F. R., Kubečka, J., Besel, V., Vehkamäki, H., Mikkelsen, K. V., Bilde, M. & Elm, J. (2020). Hydration of Atmospheric Molecular Clusters III: Procedure for Efficient Free Energy Surface Exploration of Large Hydrated Clusters. The journal of physical chemistry. A, 124(25), 5253-5261. https://doi.org/10.1021/acs.jpca.0c02932

Kildgaard, J. V., Mikkelsen, K. V., Bilde, M. & Elm, J. (2018). Hydration of Atmospheric Molecular Clusters II: Organic Acid-Water Clusters. The journal of physical chemistry. A, 122(43), 8549-8556. https://doi.org/10.1021/acs.jpca.8b07713

Kildgaard, J. V., Mikkelsen, K. V., Bilde, M. & Elm, J. (2018). Hydration of Atmospheric Molecular Clusters: A New Method for Systematic Configurational Sampling. The Journal of Physical Chemistry A, 122(22), 5026-5036. https://doi.org/10.1021/acs.jpca.8b02758

Zhang, R., Ma, F., Zhang, Y., Chen, J., Elm, J., He, X.-C. & Xie, H.-B. (2024). HIO₃-HIO₂-Driven Three-Component Nucleation: Screening Model and Cluster Formation Mechanism. Environmental Science & Technology, 58(1), 649-659. https://doi.org/10.1021/acs.est.3c06098

Viser resultater 1 til 60 ud af 118

Næste

Revideret 09.06.2022

Jonas Elm