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Publications 2003 2019

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2019

Calculating rate constants for intersystem crossing and internal conversion in the Franck-Condon and Herzberg-Teller approximations

Valiev, R. R., Cherepanov, V. N., Nasibullin, R. T., Sundholm, D. & Kurten, T., 14 Sep 2019, In : Physical Chemistry Chemical Physics. 21, 34, p. 18495-18500 6 p.

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Chamber-based insights into the factors controlling epoxydiol (IEPOX) secondary organic aerosol (SOA) yield, composition, and volatility

D'Ambro, E. L., Schobesberger, S., Gaston, C. J., Lopez-Hilfiker, F. D., Lee, B. H., Liu, J., Zelenyuk, A., Bell, D., Cappa, C. D., Helgestad, T., Li, Z., Guenther, A., Wang, J., Wise, M., Caylor, R., Surratt, J. D., Riedel, T., Hyttinen, N., Salo, V-T., Hasan, G. & 3 othersKurten, T., Shilling, J. E. & Thornton, J. A., 5 Sep 2019, In : Atmospheric Chemistry and Physics. 19, 17, p. 11253-11265 13 p.

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Configurational Sampling of Noncovalent (Atmospheric) Molecular Clusters: Sulfuric Acid and Guanidine

Kubecka, J., Besel, V., Kurten, T., Myllys, N. & Vehkamäki, H., 18 Jul 2019, In : Journal of Physical Chemistry A. 123, 28, p. 6022-6033 12 p.

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How well can we predict cluster fragmentation inside a mass spectrometer?

Passananti, M., Zapadinsky, E., Zanca, T., Kangasluoma, J., Myllys, N., Rissanen, M. P., Kurtén, T., Ehn, M., Attoui, M. & Vehkamäki, H., 25 May 2019, In : Chemical Communications. 55, 42, p. 5946-5949 4 p.

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Intersystem Crossings Drive Atmospheric Gas-Phase Dimer Formation

Valiev, R., Hasan, G., Salo, V-T., Kubecka, J. & Kurten, T., 1 Aug 2019, In : Journal of Physical Chemistry A. 123, 30, p. 6596-6604 9 p.

Research output: Contribution to journalArticleScientificpeer-review

Modeling on Fragmentation of Clusters inside a Mass Spectrometer

Zapadinsky, E., Passananti, M., Myllys, N., Kurten, T. & Vehkamäki, H., 17 Jan 2019, In : Journal of Physical Chemistry A. 123, 2, p. 611-624 14 p.

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Photolysis of diatomic molecules as a source of atoms in planetary exospheres

Valiev, R., Berezhnoy, A. A., Gritsenko, I. S., Merzlikin, B. S., Cherepanov, V. N., Kurten, T. & Wöhler, C., 7 Aug 2019, In : Astronomy & Astrophysics.

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Reaction between Peroxy and Alkoxy Radicals Can Form Stable Adducts

Iyer, S., Rissanen, M. P. & Kurtén, T., 2 May 2019, In : Journal of Physical Chemistry Letters. 10, 9, p. 2051-2057 13 p.

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Temporal and Spatial Variation in Scots Pine Resin Pressure and Composition

Rissanen, K., Hölttä, T., Barreira, L. F. M., Hyttinen, N., Kurtén, T. & Bäck, J., 17 May 2019, In : Frontiers in Forests and Global Change. 2, 14 p., 23.

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2018

A reference data set for validating vapor pressure measurement techniques: homologous series of polyethylene glycols

Krieger, U. K., Siegrist, F., Marcolli, C., Emanuelsson, E. U., Gobel, F. M., Bilde, M., Marsh, A., Reid, J. P., Huisman, A. J., Riipinen, I., Hyttinen, N., Myllys, N., Kurten, T., Bannan, T., Percival, C. J. & Topping, D., 8 Jan 2018, In : Atmospheric Measurement Techniques. 11, 1, p. 49-63 15 p.

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Closed-Shell Organic Compounds Might Form Dimers at the Surface of Molecular Clusters

Hirvonen, V., Myllys, N., Kurtén, T. & Elm, J., 15 Feb 2018, In : Journal of Physical Chemistry A. 122, 6, p. 1771-1780 10 p.

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Clustering mechanism of oxocarboxylic acids involving hydration reaction: Implications for the atmospheric models

Liu, L., Kupiainen-Maatta, O., Zhang, H., Li, H., Zhong, J., Kurten, T., Vehkamaki, H., Zhang, S., Zhang, Y., Ge, M., Zhang, X. & Li, Z., 7 Jun 2018, In : Journal of Chemical Physics. 148, 21, 10 p., 214303.

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Computational Comparison of Different Reagent Ions in the Chemical Ionization of Oxidized Multifunctional Compounds

Hyttinen, N., Otkjaer, R. V., Iyer, S., Kjaergaard, H. G., Rissanen, M. P., Wennberg, P. O. & Kurten, T., 11 Jan 2018, In : Journal of Physical Chemistry A. 122, 1, p. 269-279 11 p.

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Computational Investigation of RO2 + HO2 and RO2 + RO2 Reactions of Monoterpene Derived First-Generation Peroxy Radicals Leading to Radical Recycling

Iyer, S., Reiman, H., Moller, K. H., Rissanen, M. P., Kjaergaard, H. G. & Kurten, T., 13 Dec 2018, In : Journal of Physical Chemistry A. 122, 49, p. 9542-9552 11 p.

Research output: Contribution to journalArticleScientificpeer-review

Estimating the saturation vapor pressures of isoprene oxidation products C5H12O6 and C5H10O6 using COSMO-RS

Kurten, T., Hyttinen, N., D'Ambro, E. L., Thornton, J. & Prisle, N. L., 12 Dec 2018, In : Atmospheric Chemistry and Physics. 18, 23, p. 17589-17600 12 p.

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Flight Deployment of a High-Resolution Time-of-Flight Chemical Ionization Mass Spectrometer: Observations of Reactive Halogen and Nitrogen Oxide Species

Lee, B. H., Lopez-Hilfiker, F. D., Veres, P. R., McDuffie, E. E., Fibiger, D. L., Sparks, T. L., Ebben, C. J., Green, J. R., Schroder, J. C., Campuzano-Jost, P., Iyer, S., D'Ambro, E. L., Schobesberger, S., Brown, S. S., Wooldridge, P. J., Cohen, R. C., Fiddler, M. N., Bililign, S., Jimenez, J. L., Kurten, T. & 3 othersWeinheimer, A. J., Jaegle, L. & Thornton, J. A., 27 Jul 2018, In : Journal of Geophysical Research : Atmospheres. 123, 14, p. 7670-7686 17 p.

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Self-Catalytic Reaction of SO3 and NH3 To Produce Sulfamic Acid and Its Implication to Atmospheric Particle Formation

Li, H., Zhong, J., Vehkamäki, H., Kurtén, T., Wang, W., Ge, M., Zhang, S., Li, Z., Zhang, X., Francisco, J. S. & Zeng, X. C., 5 Sep 2018, In : Journal of the American Chemical Society. 140, 35, p. 11020-11028 9 p.

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2017

Alkoxy Radical Bond Scissions Explain the Anomalously Low Secondary Organic Aerosol and Organonitrate Yields From alpha-Pinene + NO3

Kurten, T., Moller, K. H., Nguyen, T. B., Schwantes, R. H., Misztal, P. K., Su, L., Wennberg, P. O., Fry, J. L. & Kjaergaard, H. G., 6 Jul 2017, In : Journal of Physical Chemistry Letters. 8, 13, p. 2826-2834 9 p.

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Atmospheric Fate of Monoethanolamine: Enhancing New Particle Formation of Sulfuric Acid as an Important Removal Process

Xie, H-B., Elm, J., Halonen, R., Myllys, N., Kurten, T., Kulmala, M. & Vehkamäki, H., 1 Aug 2017, In : Environmental Science & Technology. 51, 15, p. 8422-8431 10 p.

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Can COSMOTherm Predict a Salting in Effect?

Toivola, M., Prisle, N. L., Elm, J., Waxman, E. M., Volkamer, R. & Kurten, T., 24 Aug 2017, In : Journal of Physical Chemistry A. 121, 33, p. 6288-6295 8 p.

Research output: Contribution to journalArticleScientificpeer-review

Computational Comparison of Acetate and Nitrate Chemical Ionization of Highly Oxidized Cyclohexene Ozonolysis Intermediates and Products

Hyttinen, N., Rissanen, M. P. & Kurten, T., 16 Mar 2017, In : Journal of Physical Chemistry A. 121, 10, p. 2172-2179 8 p.

Research output: Contribution to journalArticleScientificpeer-review

Diamines Can Initiate New Particle Formation in the Atmosphere

Elm, J., Passananti, M., Kurten, T. & Vehkamäki, H., 17 Aug 2017, In : Journal of Physical Chemistry A. 121, 32, p. 6155-6164 10 p.

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Direct Probing of Criegee Intermediates from Gas-Phase Ozonolysis Using Chemical Ionization Mass Spectrometry

Berndt, T., Herrmann, H. & Kurten, T., 27 Sep 2017, In : Journal of the American Chemical Society. 139, 38, p. 13387-13392 6 p.

Research output: Contribution to journalArticleScientificpeer-review

Effect of Bisulfate, Ammonia, and Ammonium on the Clustering of Organic Acids and Sulfuric Acid

Myllys, N. L. P., Olenius, T. M., Kurten, T. C., Vehkamäki, H. T. K., Riipinen, I. & Elm, J., 6 Jun 2017, In : Journal of Physical Chemistry A. 121, 25, p. 4812–4824 13 p.

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Formation of atmospheric molecular clusters consisting of sulfuric acid and C8H12O6 tricarboxylic acid

Elm, J., Myllys, N., Olenius, T., Halonen, R., Kurten, T. & Vehkamäki, H., 14 Feb 2017, In : Physical Chemistry Chemical Physics. 19, 6, p. 4877-4886 10 p.

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Modeling the role of highly oxidized multifunctional organic molecules for the growth of new particles over the boreal forest region

Ostrom, E., Putian, Z., Schurgers, G., Mishurov, M., Kivekas, N., Lihavainen, H., Ehn, M., Rissanen, M. P., Kurten, T., Boy, M., Swietlicki, E. & Roldin, P., 24 Jul 2017, In : Atmospheric Chemistry and Physics. 17, 14, p. 8887-8901 15 p.

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New particle formation from sulfuric acid and amines: Comparison of monomethylamine, dimethylamine, and trimethylamine

Olenius, T., Halonen, R., Kurten, T., Henschel, H., Kupiainen-Määttä, O., Ortega, I. K., Jen, C. N., Vehkamäki, H. & Riipinen, I., 16 Jul 2017, In : Journal of Geophysical Research : Atmospheres. 122, 13, p. 7103-7118 16 p.

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Phosphoric acid - a potentially elusive participant in atmospheric new particle formation

Elm, J., Myllys, N. & Kurten, T., 2017, In : Molecular Physics. 115, 17-18, p. 2168-2179 12 p.

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Unimolecular Decay of the Dimethyl-Substituted Criegee Intermediate in Alkene Ozonolysis: Decay Time Scales and the Importance of Tunneling

Drozd, G. T., Kurten, T., Donahue, N. M. & Lester, M. I., 17 Aug 2017, In : Journal of Physical Chemistry A. 121, 32, p. 6036-6045 10 p.

Research output: Contribution to journalArticleScientificpeer-review

What Is Required for Highly Oxidized Molecules To Form Clusters with Sulfuric Acid?

Elm, J., Myllys, N. L. P. & Kurten, T. C., 31 May 2017, In : Journal of Physical Chemistry A. 121, 23, p. 4578–4587 10 p.

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2016

alpha-Pinene Autoxidation Products May Not Have Extremely Low Saturation Vapor Pressures Despite High O: C Ratios

Kurten, T., Tiusanen, K., Roldin, P., Rissanen, M., Luy, J-N., Boy, M., Ehn, M. & Donahue, N., 28 Apr 2016, In : Journal of Physical Chemistry A. 120, 16, p. 2569-2582 14 p.

Research output: Contribution to journalArticleScientificpeer-review

Can Highly Oxidized Organics Contribute to Atmospheric New Particle Formation?

Ortega, I. K., Donahue, N. M., Kurten, T., Kulmala, M., Focsa, C. & Vehkamaki, H., 10 Mar 2016, In : Journal of Physical Chemistry A. 120, 9, p. 1452-1458 7 p.

Research output: Contribution to journalArticleScientificpeer-review

Computational Study on the Effect of Hydration on New Particle Formation in the Sulfuric Acid/Ammonia and Sulfuric Acid/Dimethylamine Systems

Henschel, H., Kurten, T. & Vehkamäki, H., 24 Mar 2016, In : Journal of Physical Chemistry A. 120, 11, p. 1886-1896 11 p.

Research output: Contribution to journalArticleScientificpeer-review

Constraining the sensitivity of iodide adduct chemical ionization mass spectrometry to multifunctional organic molecules using the collision limit and thermodynamic stability of iodide ion adducts

Lopez-Hilfiker, F. D., Iyer, S., Mohr, C., Lee, B. H., D'Ambro, E. L., Kurten, T. & Thornton, J. A., 2016, In : Atmospheric Measurement Techniques. 9, 4, p. 1505-1512 8 p.

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Cost-Effective Implementation of Multiconformer Transition State Theory for Peroxy Radical Hydrogen Shift Reactions

Møller, K. H., Otkjaer, R. V., Hyttinen, N., Kurten, T. C. & Kjaergaard, H. G., 2016, In : Journal of Physical Chemistry A. 120, 51, p. 10072-10087 16 p.

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Coupled Cluster Evaluation of the Stability of Atmospheric Acid-Base Clusters with up to 10 Molecules

Myllys, N., Elm, J., Halonen, R., Kurten, T. & Vehkamäki, H., 4 Feb 2016, In : Journal of Physical Chemistry A. 120, 4, p. 621-630 10 p.

Research output: Contribution to journalArticleScientificpeer-review

Density functional theory basis set convergence of sulfuric acid-containing molecular clusters

Myllys, N., Elm, J. & Kurten, T., 15 Dec 2016, In : Computational and Theoretical Chemistry. 1098, p. 1-12 12 p.

Research output: Contribution to journalArticleScientificpeer-review

Effect of Conformers on Free Energies of Atmospheric Complexes

Partanen, L., Vehkamäki, H., Hansen, K., Elm, J., Henschel, H., Kurten, T., Halonen, R. & Zapadinsky, E., 4 Oct 2016, In : Journal of Physical Chemistry A. 120, 43, p. 8613-8624 12 p.

Research output: Contribution to journalArticleScientificpeer-review

Efficient Isoprene Secondary Organic Aerosol Formation from a Non-IEPDX Pathway

Liu, J., D'Ambro, E. L., Lee, B. H., Lopez-Hilfiker, F. D., Zaveri, R. A., Rivera-Rios, J. C., Keutsch, F. N., Iyer, S., Kurten, T., Zhang, Z., Gold, A., Surratt, J. D., Shilling, J. E. & Thornton, J. A., 20 Sep 2016, In : Environmental Science & Technology. 50, 18, p. 9872-9880 9 p.

Research output: Contribution to journalArticleScientificpeer-review

Heterogeneous Nucleation onto Ions and Neutralized Ions: Insights into Sign-Preference

Kangasluoma, J., Samodurov, A., Attoui, M., Franchin, A., Junninen, H., Korhonen, F., Kurten, T., Vehkamaki, H., Sipilä, M., Lehtipalo, K., Worsnop, D. R., Petäjä, T. & Kulmala, M., 7 Apr 2016, In : Journal of Physical Chemistry C. 120, 13, p. 7444-7450 7 p.

Research output: Contribution to journalArticleScientificpeer-review

Highly functionalized organic nitrates in the southeast United States: Contribution to secondary organic aerosol and reactive nitrogen budgets

Lee, B. H., Mohr, C., Lopez-Hilfiker, F. D., Lutz, A., Hallquist, M., Lee, L., Romer, P., Cohen, R. C., Iyer, S., Kurten, T., Hu, W., Day, D. A., Campuzano-Jost, P., Jimenez, J. L., Xu, L., Ng, N. L., Guo, H., Weber, R. J., Wild, R. J., Brown, S. S. & 18 othersKoss, A., de Gouw, J., Olson, K., Goldstein, A. H., Seco, R., Kim, S., McAvey, K., Shepson, P. B., Starn, T., Baumann, K., Edgerton, E. S., Liu, J., Shilling, J. E., Miller, D. O., Brune, W., Schobesberger, S., D'Ambro, E. L. & Thornton, J. A., 9 Feb 2016, In : Proceedings of the National Academy of Sciences of the United States of America. 113, 6, p. 1516-1521 6 p.

Research output: Contribution to journalArticleScientificpeer-review

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Hydroxyl radical-induced formation of highly oxidized organic compounds

Berndt, T., Richters, S., Jokinen, T., Hyttinen, N., Kurten, T., Otkjaer, R. V., Kjaergaard, H. G., Stratmann, F., Herrmann, H., Sipilä, M., Kulmala, M. & Ehn, M., 2 Dec 2016, In : Nature Communications. 7, 8 p., 13677.

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Modeling the Detection of Organic and Inorganic Compounds Using Iodide-Based Chemical Ionization

Iyer, S., Lopez-Hilfiker, F., Lee, B. H., Thornton, J. A. & Kurten, T., 4 Feb 2016, In : Journal of Physical Chemistry A. 120, 4, p. 576-587 12 p.

Research output: Contribution to journalArticleScientificpeer-review

Molecular Composition and Volatility of Organic Aerosol in the Southeastern US: Implications for IEPDX Derived SOA

Lopez-Hilfiker, F. D., Mohr, C., D'Ambro, E. L., Lutz, A., Riedel, T. P., Gaston, C. J., Iyer, S., Zhang, Z., Gold, A., Surratt, J. D., Lee, B. H., Kurten, T., Hu, W. W., Jimenez, J., Hallquist, M. & Thornton, J. A., 1 Mar 2016, In : Environmental Science & Technology. 50, 5, p. 2200-2209 10 p.

Research output: Contribution to journalArticleScientificpeer-review

Molecular-scale evidence of aerosol particle formation via sequential addition of HIO3

Sipilä, M., Sarnela, N., Jokinen, T., Henschel, H., Junninen, H., Kontkanen, J., Richters, S., Kangasluoma, J., Franchin, A., Peräkylä, O., Rissanen, M. P., Ehn, M., Vehkamäki, H., Kurten, T., Berndt, T., Petäjä, T., Worsnop, D., Ceburnis, D., Kerminen, V-M., Kulmala, M. & 1 othersO'Dowd, C., 22 Sep 2016, In : Nature. 537, 7621, p. 532-534 3 p.

Research output: Contribution to journalArticleScientificpeer-review

Strong Hydrogen Bonded Molecular Interactions between Atmospheric Diamines and Sulfuric Acid

Elm, J., Jen, C. N., Kurten, T. & Vehkamäki, H., 26 May 2016, In : Journal of Physical Chemistry A. 120, 20, p. 3693-3700 8 p.

Research output: Contribution to journalArticleScientificpeer-review

The Effect of Water and Bases on the Clustering of a Cyclohexene Autoxidation Product C6H8O7 with Sulfuric Acid

Elm, J., Myllys, N., Luy, J-N., Kurten, T. & Vehkamäki, H., 14 Apr 2016, In : Journal of Physical Chemistry A. 120, 14, p. 2240-2249 10 p.

Research output: Contribution to journalArticleScientificpeer-review

Unimolecular HO2 Loss from Peroxy Radicals Formed in Autoxidation Is Unlikely under Atmospheric Conditions

Hyttinen, N., Knap, H. C., Rissanen, M. P., Jorgensen, S., Kjaergaard, H. G. & Kurten, T., 26 May 2016, In : Journal of Physical Chemistry A. 120, 20, p. 3588-3595 8 p.

Research output: Contribution to journalArticleScientificpeer-review

2015

Acid-Mediated Formation of Radicals or Baeyer-Villiger Oxidation from Criegee Adducts

Schweitzer-Chaput, B., Kurten, T. & Klussmann, M., 28 Sep 2015, In : Angewandte Chemie (International Edition). 54, 40, p. 11848-11851 4 p.

Research output: Contribution to journalArticleScientificpeer-review