List of Publications

Full list of publications

ResearcherID: J-1717-2016

ORCID: 0000-0003-3736-4329

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Hirvonen, V., Myllys, N., Kurtén, T. & Elm, J. (2018). Closed-Shell Organic Compounds Might Form Dimers at the Surface of Molecular Clusters. The Journal of Physical Chemistry A, 122(6), 1771-1780. https://doi.org/10.1021/acs.jpca.7b11970

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

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

Ma, F., Ding, Z., Elm, J., Xie, H. B., Yu, Q., Liu, C., Li, C., Fu, Z., Zhang, L. & Chen, J. (2018). Atmospheric Oxidation of Piperazine Initiated by ·cl: Unexpected High Nitrosamine Yield. Environmental Science and Technology, 52(17), 9801-9809. https://doi.org/10.1021/acs.est.8b02510

Myllys, N., Ponkkonen, T., Passananti, M., Elm, J., Vehkamäki, H. & Olenius, T. (2018). Guanidine: A Highly Efficient Stabilizer in Atmospheric New-Particle Formation. The Journal of Physical Chemistry A, 122(20), 4717-4729. https://doi.org/10.1021/acs.jpca.8b02507

Teiwes, R., Elm, J., Handrup, K., Jensen, E. P., Bilde, M. & Pedersen, H. B. (2018). Atmospheric chemistry of iodine anions: Elementary reactions of I^-, IO^-, and IO₂ ^- with ozone studied in the gas-phase at 300 K using an ion trap. Physical Chemistry Chemical Physics, 20(45), 28606-28615. https://doi.org/10.1039/c8cp05721d

Elm, J., Passananti, M., Kurtén, T. & Vehkamäki, H. (2017). Diamines Can Initiate New Particle Formation in the Atmosphere. The Journal of Physical Chemistry A, 121(32), 6155-6164. https://doi.org/10.1021/acs.jpca.7b05658

Elm, J. (2017). Elucidating the Limiting Steps in Sulfuric Acid-Base New Particle Formation. The Journal of Physical Chemistry A, 121(43), 8288-8295. https://doi.org/10.1021/acs.jpca.7b08962

Elm, J., Myllys, N., Olenius, T., Halonen, R., Kurten, T. & Vehkamaki, H. (2017). Formation of atmospheric molecular clusters consisting of sulfuric acid and C8H12O6 tricarboxylic acid. Physical Chemistry Chemical Physics, 19(6), 4877-4886. https://doi.org/10.1039/c6cp08127d

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

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

Koerstz, M., Elm, J. & Mikkelsen, K. V. (2017). Benchmark Study of the Structural and Thermochemical Properties of a Dihydroazulene/Vinylheptafulvene Photoswitch. The Journal of Physical Chemistry A, 121(16), 3148-3154. https://doi.org/10.1021/acs.jpca.7b01207

Myllys, N., Olenius, T., Kurten, T., Vehkamaki, H., Riipinen, I. & Elm, J. (2017). Effect of Bisulfate, Ammonia, and Ammonium on the Clustering of Organic Acids and Sulfuric Acid. The Journal of Physical Chemistry A, 121(25), 4812-4824. https://doi.org/10.1021/acs.jpca.7b03981

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

Toivola, M., Prisle, N. L., Elm, J., Waxman, E. M., Volkamer, R. & Kurten, T. (2017). Can COSMOTherm Predict a Salting in Effect? The Journal of Physical Chemistry A, 121(33), 6288-6295. https://doi.org/10.1021/acs.jpca.7b04847

Xie, H.-B., Elm, J., Halonen, R., Myllys, N., Kurten, T., Kulmala, M. & Vehkamaki, H. (2017). Atmospheric Fate of Monoethanolamine: Enhancing New Particle Formation of Sulfuric Acid as an Important Removal Process. Environmental Science & Technology, 51(15), 8422-8431. https://doi.org/10.1021/acs.est.7b02294

Cacciarini, M., Jevric, M., Elm, J., Petersen, A. U., Mikkelsen, K. V. & Nielsen, M. B. (2016). Fine-tuning the lifetimes and energy storage capacities of meta-stable vinylheptafulvenes via substitution at the vinyl position. RSC Advances, 6(54), 49003-49010. https://doi.org/10.1039/c6ra06045e

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., 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

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

Myllys, N., Elm, J., Halonen, R., Kurten, T. & Vehkamaki, H. (2016). Coupled Cluster Evaluation of the Stability of Atmospheric Acid-Base Clusters with up to 10 Molecules. The Journal of Physical Chemistry A, 120(4), 621-630. https://doi.org/10.1021/acs.jpca.5b09762

Myllys, N., Elm, J. & Kurten, T. (2016). Density functional theory basis set convergence of sulfuric acid-containing molecular clusters. Computational and Theoretical Chemistry, 1098, 1-12. https://doi.org/10.1016/j.comptc.2016.10.015

Partanen, L., Vehkamaki, H., Hansen, K., Elm, J., Henschel, H., Kurten, T., Halonen, R. & Zapadinsky, E. (2016). Effect of Conformers on Free Energies of Atmospheric Complexes. The Journal of Physical Chemistry A, 120(43), 8613-8624. https://doi.org/10.1021/acs.jpca.6b04452

Petersen, A. U., Jevric, M., Elm, J., Olsen, S. T., Tortzen, C. G., Kadziola, A., Mikkelsen, K. V. & Nielsen, M. B. (2016). Azulenium chemistry: towards new derivatives of photochromic dihydroazulenes. Organic & Biomolecular Chemistry, 14(8), 2403-2412. https://doi.org/10.1039/c5ob02523k

Skov, A. B., Broman, S. L., Gertsen, A. S., Elm, J., Jevric, M., Cacciarini, M., Kadziola, A., Mikkelsen, K. V. & Nielsen, M. B. (2016). Aromaticity-Controlled Energy Storage Capacity of the Dihydroazulene-Vinylheptafulvene Photochromic System. Chemistry: A European Journal, 22(41), 14567-14575. https://doi.org/10.1002/chem.201601190

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

Elm, J., Myllys, N., Hyttinen, N. & Kurten, T. (2015). Computational Study of the Clustering of a Cyclohexene Autoxidation Product C6H8O7 with Itself and Sulfuric Acid. The Journal of Physical Chemistry A, 119(30), 8414-8421. https://doi.org/10.1021/acs.jpca.5b04040

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

Kurten, T., Elm, J., Prisle, N. L., Mikkelsen, K. V., Kampf, C. J., Waxman, E. M. & Volkamer, R. (2015). Computational Study of the Effect of Glyoxal-Sulfate Clustering on the Henry's Law Coefficient of Glyoxal. The Journal of Physical Chemistry A, 119(19), 4509-4514. https://doi.org/10.1021/jp510304c

Olsen, S. T., Elm, J., Storm, F. E., Gejl, A. N., Hansen, A. S., Hansen, M. H., Nikolajsen, J. R., Nielsen, M. B., Kjaergaard, H. G. & Mikkelsen, K. V. (2015). Computational Methodology Study of the Optical and Thermochemical Properties of a Molecular Photoswitch. The Journal of Physical Chemistry A, 119(5), 896-904. https://doi.org/10.1021/jp510678u

Waxman, E. M., Elm, J., Kurten, T., Mikkelsen, K. V., Ziemann, P. J. & Vokamer, R. (2015). Glyoxal and Methylglyoxal Setschenow Salting Constants in Sulfate, Nitrate, and Chloride Solutions: Measurements and Gibbs Energies. Environmental Science & Technology, 49(19), 11500-11508. https://doi.org/10.1021/acs.est.5b02782

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

Elm, J. & Mikkelsen, K. V. (2014). Computational approaches for efficiently modelling of small atmospheric clusters. Chemical Physics Letters, 615, 26-29. https://doi.org/10.1016/j.cplett.2014.09.060

Elm, J., Bilde, M. & Mikkelsen, K. V. (2012). Assessment of Density Functional Theory in Predicting Structures and Free Energies of Reaction of Atmospheric Prenucleation Clusters. Journal of Chemical Theory and Computation, 8(6), 2071-2077. https://doi.org/10.1021/ct300192p

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

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

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

Westerlund, F., Elm, J., Lykkebo, J., Carlsson, N., Thyrhaug, E., Akerman, B., Sorensen, T. J., Mikkelsen, K. V. & Laursen, B. W. (2011). Direct probing of ion pair formation using a symmetric triangulenium dye. Photochemical & Photobiological Sciences, 10(12), 1963-1973. https://doi.org/10.1039/c1pp05253e

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Revideret 09.06.2022

Jonas Elm