Research output per year
Research output per year
Research output
- 1 - 50 out of 106 results
Search results
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2024
Accurate modeling of the potential energy surface of atmospheric molecular clusters boosted by neural networks
Kubečka, J., Ayoubi, D., Tang, Z., Knattrup, Y., Engsvang, M., Wu, H. & Elm, J., 13 Aug 2024, In: Environmental science: Advances. 3, 10, p. 1438-1451 14 p.Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review
Open Access -
A cluster-of-functional-groups approach for studying organic enhanced atmospheric cluster formation
Pedersen, A. N., Knattrup, Y. & Elm, J., 2024, In: Aerosol Research. 2, 1, p. 123-134 12 p.Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review
Open Access -
A new setup for measurements of absolute saturation vapor pressures using a dynamical method: Experimental concept and validation
Nielsen, R. V., Salimi, M., Andersen, J. E. V., Elm, J., Dantan, A. & Pedersen, H. B., Jun 2024, In: Review of Scientific Instruments. 95, 6, 065007.Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review
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Chlorine Oxyacids Potentially Contribute to Arctic Aerosol Formation
Engsvang, M., Knattrup, Y., Kubečka, J. & Elm, J., 13 Feb 2024, In: Environmental Science and Technology Letters. 11, 2, p. 101-105 5 p.Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review
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Erratum: A new setup for measurements of absolute saturation vapor pressures using a dynamical method: Experimental concept and validation” [Rev. Sci. Instrum. 95, 065007 (2024)]
Nielsen, R. V., Salimi, M., Andersen, J. E. V., Elm, J., Dantan, A. & Pedersen, H. B., 1 Oct 2024, In: The Review of scientific instruments. 95, 10, 109903.Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Corrigendum › Research › peer-review
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HIO3-HIO2-Driven Three-Component Nucleation: Screening Model and Cluster Formation Mechanism
Zhang, R., Ma, F., Zhang, Y., Chen, J., Elm, J., He, X.-C. & Xie, H.-B., 9 Jan 2024, In: Environmental Science & Technology. 58, 1, p. 649-659 11 p.Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review
1 Citation (Scopus) -
Iodine Clusters in the Atmosphere I: Computational Benchmark and Dimer Formation of Oxyacids and Oxides
Engsvang, M., Wu, H. & Elm, J., Jul 2024, In: ACS Omega. 9, 29, p. 31521-31532 12 p.Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review
Open Access1 Citation (Scopus) -
Massive Assessment of the Geometries of Atmospheric Molecular Clusters
Jensen, A. B. & Elm, J., 8 Oct 2024, In: Journal of Chemical Theory and Computation. 20, 19, p. 8549–8558 10 p.Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review
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Natural Marine Precursors Boost Continental New Particle Formation and Production of Cloud Condensation Nuclei
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., 25 Jun 2024, In: Environmental Science & Technology. 58, 25, p. 10956-10968 13 p.Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review
Open Access3 Citations (Scopus) -
Reparameterization of GFN1-xTB for atmospheric molecular clusters: applications to multi-acid-multi-base systems
Knattrup, Y., Kubečka, J., Wu, H., Jensen, F. & Elm, J., 21 Jun 2024, In: RSC Advances. 14, 28, p. 20048-20055 8 p.Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review
Open Access1 Citation (Scopus) -
2023
An overlooked oxidation mechanism of toluene: computational predictions and experimental validations
Fu, Z., Ma, F., Liu, Y., Yan, C., Huang, D., Chen, J., Elm, J., Li, Y., Ding, A., Pichelstorfer, L., Xie, H. B., Nie, W., Francisco, J. S. & Zhou, P., Oct 2023, In: Chemical Science. 14, 45, p. 13050-13059 10 p.Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review
Open Access6 Citations (Scopus) -
Atmospheric Sulfuric Acid-Multi-Base New Particle Formation Revealed through Quantum Chemistry Enhanced by Machine Learning
Kubečka, J., Neefjes, I., Besel, V., Qiao, F., Xie, H.-B. & Elm, J., Mar 2023, In: The journal of physical chemistry. A. 127, 9, p. 2091-2103 13 p.Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review
13 Citations (Scopus) -
Clusterome: A Comprehensive Data Set of Atmospheric Molecular Clusters for Machine Learning Applications
Knattrup, Y., Kubečka, J., Ayoubi, D. & Elm, J., Jul 2023, In: ACS Omega. 8, 28, p. 25155-25164 10 p.Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review
Open Access7 Citations (Scopus) -
Clusteromics V: Organic Enhanced Atmospheric Cluster Formation
Ayoubi, D., Knattrup, Y. & Elm, J., Mar 2023, In: ACS Omega. 8, 10, p. 9621-9629 9 p.Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review
Open Access13 Citations (Scopus) -
Computational Tools for Handling Molecular Clusters: Configurational Sampling, Storage, Analysis, and Machine Learning
Kubečka, J., Besel, V., Neefjes, I., Knattrup, Y., Kurtén, T., Vehkamäki, H. & Elm, J., Nov 2023, In: ACS Omega. 8, 47, p. 45115-45128 14 p.Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review
Open Access5 Citations (Scopus) -
Current and future machine learning approaches for modeling atmospheric cluster formation
Kubečka, J., Knattrup, Y., Engsvang, M., Jensen, A. B., Ayoubi, D., Wu, H., Christiansen, O. & Elm, J., Jun 2023, In: Nature Computational Science. 3, 6, p. 495-503 9 p.Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review
5 Citations (Scopus) -
Enhancement of Atmospheric Nucleation Precursors on Iodic Acid-Induced Nucleation: Predictive Model and Mechanism
Ma, F., Xie, H.-B., Zhang, R., Su, L., Jiang, Q., Tang, W., Chen, J., Engsvang, M., Elm, J. & He, X.-C., May 2023, In: Environmental Science & Technology. 57, 17, p. 6944-6954 11 p.Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review
Open AccessFile14 Citations (Scopus)4 Downloads (Pure) -
Improved Configurational Sampling Protocol for Large Atmospheric Molecular Clusters
Wu, H., Engsvang, M., Knattrup, Y., Kubečka, J. & Elm, J., Nov 2023, In: ACS Omega. 8, 47, p. 45065-45077 13 p.Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review
Open AccessFile5 Citations (Scopus)19 Downloads (Pure) -
Limited Role of Malonic Acid in Sulfuric Acid-Dimethylamine New Particle Formation
Fomete, S. K. W., Kubečka, J., Elm, J. & Jen, C. N., Jun 2023, In: ACS Omega. 8, 22, p. 19807-19815 9 p.Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review
Open Access1 Citation (Scopus) -
Mechanism-based structure-activity relationship investigation on hydrolysis kinetics of atmospheric organic nitrates
Zhao, Q., Xie, H. B., Ma, F., Nie, W., Yan, C., Huang, D., Elm, J. & Chen, J., Dec 2023, In: npj Climate and Atmospheric Science. 6, 1, 192.Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review
Open Access -
Nitric Acid and Organic Acids Suppress the Role of Methanesulfonic Acid in Atmospheric New Particle Formation
Knattrup, Y., Kubečka, J. & Elm, J., Sept 2023, In: The Journal of Physical Chemistry A. 127, 36, p. 7568-7578 11 p.Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review
8 Citations (Scopus) -
Quantum chemical modeling of atmospheric molecular clusters involving inorganic acids and methanesulfonic acid
Engsvang, M., Wu, H., Knattrup, Y., Kubečka, J., Jensen, A. B. & Elm, J., Sept 2023, In: Chemical Physics Reviews. 4, 3, 031311 .Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Review › Research › peer-review
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Quantum chemical modeling of organic enhanced atmospheric nucleation: A critical review
Elm, J., Ayoubi, D., Engsvang, M., Jensen, A. B., Knattrup, Y., Kubečka, J., Bready, C. J., Fowler, V. R., Harold, S. E., Longsworth, O. M. & Shields, G. C., Sept 2023, In: Wiley Interdisciplinary Reviews: Computational Molecular Science. 13, 5, 43 p., e1662.Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Review › Research › peer-review
Open AccessFile13 Citations (Scopus)7 Downloads (Pure) -
Reducing chemical complexity in representation of new-particle formation: evaluation of simplification approaches
Olenius, T., Bergström, R., Kubečka, J., Myllys, N. & Elm, J., Mar 2023, In: Environmental Science: Atmospheres. 2023, 3, p. 552-567 16 p.Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review
Open Access4 Citations (Scopus) -
Significant contributions of trimethylamine to sulfuric acid nucleation in polluted environments
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., Dec 2023, In: npj Climate and Atmospheric Science. 6, 1, 8 p., 75.Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review
Open Access11 Citations (Scopus) -
Toward Modeling the Growth of Large Atmospheric Sulfuric Acid-Ammonia Clusters
Engsvang, M., Kubečka, J. & Elm, J., Sept 2023, In: ACS Omega. 8, 38, p. 34597-34609 13 p.Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review
6 Citations (Scopus) -
2022
Amine-Enhanced Methanesulfonic Acid-Driven Nucleation: Predictive Model and Cluster Formation Mechanism
Liu, Y., Xie, H.-B., Ma, F., Chen, J. & Elm, J., 21 Jun 2022, In: Environmental Science & Technology. 56, 12, p. 7751-7760 10 p.Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review
14 Citations (Scopus) -
Atmospheric Autoxidation of Organophosphate Esters
Fu, Z., Xie, H. B., Elm, J., Liu, Y., Fu, Z. & Chen, J., 7 Jun 2022, In: Environmental Science & Technology. 56, 11, p. 6944–6955 12 p.Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review
26 Citations (Scopus) -
Atmospheric oxidation mechanism and kinetics of indole initiated by •OH and •Cl: a computational study
Xue, J., Ma, F., Elm, J., Chen, J. & Xie, H.-B., Sept 2022, In: Atmospheric Chemistry and Physics. 22, 17, p. 11543-11555 13 p.Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review
Open Access10 Citations (Scopus) -
Clusteromics III: Acid Synergy in Sulfuric Acid-Methanesulfonic Acid-Base Cluster Formation
Elm, J., May 2022, In: ACS Omega. 7, 17, p. 15206-15214 9 p.Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review
Open Access22 Citations (Scopus) -
Clusteromics IV: The Role of Nitric Acid in Atmospheric Cluster Formation
Knattrup, Y. & Elm, J., Sept 2022, In: ACS Omega. 7, 35, p. 31551–31560 10 p.Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review
Open Access16 Citations (Scopus) -
Contribution of Methanesulfonic Acid to the Formation of Molecular Clusters in the Marine Atmosphere
Rasmussen, F. R., Kubecka, J. & Elm, J., Oct 2022, In: The Journal of Physical Chemistry A. 126, 40, p. 7127–7136 10 p.Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review
Open AccessFile7 Citations (Scopus)43 Downloads (Pure) -
Hygroscopicity and CCN potential of DMS-derived aerosol particles
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., Oct 2022, In: Atmospheric Chemistry and Physics. 22, 20, p. 13449-13466 18 p.Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review
Open Access5 Citations (Scopus) -
Massive Assessment of the Binding Energies of Atmospheric Molecular Clusters
Jensen, A. B., Kubečka, J., Schmitz, G., Christiansen, O. & Elm, J., Dec 2022, In: Journal of Chemical Theory and Computation. 18, 12, p. 7373-7383 11 p.Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review
Open AccessFile13 Citations (Scopus)45 Downloads (Pure) -
Modeling the Binding Free Energy of Large Atmospheric Sulfuric Acid-Ammonia Clusters
Engsvang, M. & Elm, J., 8 Mar 2022, In: ACS Omega. 7, 9, p. 8077-8083 7 p.Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review
Open Access9 Citations (Scopus) -
Ozonolysis of α-Pinene and Δ3-Carene Mixtures: Formation of Dimers with Two Precursors
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., Dec 2022, In: Environmental Science & Technology. 56, 23, p. 16643-16651 9 p.Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review
12 Citations (Scopus) -
Quantum Machine Learning Approach for Studying Atmospheric Cluster Formation
Kubečka, J., Christensen, A. S., Rasmussen, F. R. & Elm, J., 8 Mar 2022, In: Environmental Science and Technology Letters. 9, 3, p. 239-244 6 p.Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review
Open AccessFile20 Citations (Scopus)192 Downloads (Pure) -
Real-time monitoring of aerosol particle formation from sulfuric acid vapor at elevated concentrations and temperatures
Becker, D., Heitland, J., Carlsson, P. T. M., Elm, J., Olenius, T., Tödter, S., Kharrazizadeh, A. & Zeuch, T., Feb 2022, In: Physical Chemistry Chemical Physics. 24, 8, p. 5001-5013 13 p.Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review
Open AccessFile1 Citation (Scopus)16 Downloads (Pure) -
The role of organic acids in new particle formation from methanesulfonic acid and methylamine
Zhang, R., Shen, J., Xie, H. B., Chen, J. & Elm, J., Feb 2022, In: Atmospheric Chemistry and Physics. 22, 4, p. 2639-2650 12 p.Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review
Open Access24 Citations (Scopus) -
2021
Atmospheric Chemistry of Allylic Radicals from Isoprene: A Successive Cyclization-Driven Autoxidation Mechanism
Ma, F., Guo, X., Xia, D., Xie, H. B., Wang, Y., Elm, J., Chen, J. & Niu, J., Apr 2021, In: Environmental Science & Technology. 55, 8, p. 4399-4409 11 p.Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review
29 Citations (Scopus) -
Clusteromics I: Principles, Protocols, and Applications to Sulfuric Acid-Base Cluster Formation
Elm, J., Mar 2021, In: ACS Omega. 6, 11, p. 7804-7814 11 p.Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review
Open Access35 Citations (Scopus) -
Clusteromics II: Methanesulfonic Acid-Base Cluster Formation
Elm, J., Jul 2021, In: ACS Omega. 6, 26, p. 17035-17044 10 p.Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review
32 Citations (Scopus) -
Large Discrepancy in the Formation of Secondary Organic Aerosols from Structurally Similar Monoterpenes
Thomsen, D., Elm, J., Rosati, B., Skønager, J. T., Bilde, M. & Glasius, M., Mar 2021, In: ACS Earth and Space Chemistry. 5, 3, p. 632-644 13 p.Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review
Open AccessFile22 Citations (Scopus)72 Downloads (Pure) -
New Particle Formation and Growth from Dimethyl Sulfide Oxidation by Hydroxyl Radicals
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., Apr 2021, In: ACS Earth and Space Chemistry. 5, 4, p. 801-811 11 p.Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review
Open AccessFile16 Citations (Scopus)108 Downloads (Pure) -
Secondary aerosol formation from dimethyl sulfide-improved mechanistic understanding based on smog chamber experiments and modelling
Wollesen De Jonge, R., Elm, J., Rosati, B., Christiansen, S., Hyttinen, N., Lüdemann, D., Bilde, M. & Roldin, P., Jul 2021, In: Atmospheric Chemistry and Physics. 21, 13, p. 9955-9976 22 p.Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review
Open Access30 Citations (Scopus) -
Toward a Holistic Understanding of the Formation and Growth of Atmospheric Molecular Clusters: A Quantum Machine Learning Perspective
Elm, J., Feb 2021, In: The Journal of Physical Chemistry A. 125, 4, p. 895-902 8 p.Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review
Open AccessFile21 Citations (Scopus)22 Downloads (Pure) -
Tri-base synergy in sulfuric acid-base clusters
Xie, H. B. & Elm, J., Oct 2021, In: Atmosphere. 12, 10, 1260.Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review
Open Access12 Citations (Scopus) -
2020
Assessment of the DLPNO Binding Energies of Strongly Noncovalent Bonded Atmospheric Molecular Clusters
Schmitz, G. & Elm, J., Apr 2020, In: ACS Omega. 5, 13, p. 7601-7612 12 p.Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review
Open Access49 Citations (Scopus) -
Formation of Low-Volatile Products and Unexpected High Formaldehyde Yield from the Atmospheric Oxidation of Methylsiloxanes
Fu, Z., Xie, H. B., Elm, J., Guo, X., Fu, Z. & Chen, J., Jun 2020, In: Environmental Science & Technology. 54, 12, p. 7136-7145 10 p.Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review
32 Citations (Scopus) -
Hydration of Atmospheric Molecular Clusters III: Procedure for Efficient Free Energy Surface Exploration of Large Hydrated Clusters
Rasmussen, F. R., Kubečka, J., Besel, V., Vehkamäki, H., Mikkelsen, K. V., Bilde, M. & Elm, J., Jun 2020, In: The journal of physical chemistry. A. 124, 25, p. 5253-5261 9 p.Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaper › Journal article › Research › peer-review
Open AccessFile16 Citations (Scopus)173 Downloads (Pure)