Henrik Grum Kjærgaard

Henrik Grum Kjærgaard

Professor

ORCID: 0000-0002-7275-8297

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  1. Published

    A computational study of the oxidation of SO2 to SO3 by gas -phase organic oxidants

    Kurten, T., Lane, J. R., Jørgensen, Solvejg & Kjærgaard, Henrik Grum, 2011, In: Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory. 115, p. 8669-8681

    Research output: Contribution to journal › Journal article › Research › peer-review

  2. Published

    A large source of low-volatility secondary organic aerosol

    Ehn, M., Thornton, J. A., Kleist, E., Sipilä, M., Junninen, H., Pullinen, I., Springer, M., Rubach, F., Tillmann, R., Lee, B., Lopez-Hilfiker, F., Andres, S., Acir, I. H., Rissanen, M., Jokinen, T., Schobesberger, S., Kangasluoma, J., Kontkanen, J., Nieminen, T., Kurtén, T. & 13 others, Nielsen, L. B., Jørgensen, Solvejg, Kjærgaard, Henrik Grum, Canagaratna, M., Maso, M. D., Berndt, T., Petäjä, T., Wahner, A., Kerminen, V. M., Kulmala, M., Worsnop, D. R., Wildt, J. & Mentel, T. F., 2014, In: Nature. 506, 7489, p. 476-479 4 p.

    Research output: Contribution to journal › Letter › Research › peer-review

  3. Published

    A new setup for low-temperature gas-phase ion fluorescence spectroscopy

    Kjaer, C., Langeland, J., Lindkvist, T. T., Sorensen, E. R., Stockett, M. H., Kjærgaard, Henrik Grum & Nielsen, S. B., 1 Mar 2021, In: Review of Scientific Instruments. 92, 3, 7 p., 033105.

    Research output: Contribution to journal › Journal article › Research › peer-review

  4. Published

    Absolute fundamental and overtone OH and OD stretching intensities of alcohols

    Wallberg, J. & Kjærgaard, Henrik Grum, 2019, In: Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy. 208, p. 315-324

    Research output: Contribution to journal › Journal article › Research › peer-review

  5. Published

    Absolute intensities of NH-stretching transitions in dimethylamine and pyrrole

    Miller, B. J., Du, L., Steel, T. J., Paul, A. J., Sodergren, A. H., Lane, J. R., Henry, B. R. & Kjærgaard, Henrik Grum, 2012, In: Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory. 116, 1, p. 290-296 7 p.

    Research output: Contribution to journal › Journal article › Research › peer-review

  6. Published

    Absorption and fluorescence spectroscopy of cold proflavine ions isolated in the gas phase

    Lindkvist, Thomas Toft, Kjær, C., Langeland, J., Vogt, E., Kjærgaard, Henrik Grum & Nielsen, S. B., 14 May 2024, In: Journal of Chemical Physics. 160, 18, 8 p., 184306.

    Research output: Contribution to journal › Journal article › Research › peer-review

  7. Published

    Accretion product formation in the self-reaction of ethene-derived hydroxy peroxy radicals

    Murphy, S. E., Crounse, J. D., Møller, Kristian Holten, Rezgui, S. P., Hafeman, N. J., Park, J., Kjærgaard, Henrik Grum, Stoltz, B. M. & Wennberg, P. O., 2023, In: Environmental Science: Atmospheres. 3, 5, p. 882–893 12 p.

    Research output: Contribution to journal › Journal article › Research › peer-review

  8. Published

    Accuracy of XH-stretching intensities with the Deng–Fan potential

    Vogt, E., Sage, D. S. & Kjærgaard, Henrik Grum, 2019, In: Molecular Physics. 117, 13, p. 1629-1639

    Research output: Contribution to journal › Journal article › Research › peer-review

  9. Published

    Accurate Calculations of OH-Stretching Intensities with a Reduced-Dimensional Local Mode Model Including Eckart Axis Embedding

    Vogt, E., Bertran Valls, P. & Kjærgaard, Henrik Grum, 6 Feb 2020, In: Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory. 124, 5, p. 932-942 11 p.

    Research output: Contribution to journal › Journal article › Research › peer-review

  10. Published

    Accurate thermodynamic properties of gas phase hydrogen bonded complexes

    Hansen, A. S., Maroun, Z., Mackeprang, K., Frandsen, B. N. & Kjærgaard, Henrik Grum, 2016, In: Physical Chemistry Chemical Physics. 18, 34, p. 23831-23839 9 p.

    Research output: Contribution to journal › Journal article › Research › peer-review

  11. Published

    Acetonyl Peroxy and Hydro Peroxy Self- and Cross-Reactions: Kinetics, Mechanism, and Chaperone Enhancement from the Perspective of the Hydroxyl Radical Product

    Zuraski, K., Hui, A. O., Grieman, F. J., Darby, E., Møller, Kristian Holten, Winiberg, F. A. F., Percival, C. J., Smarte, M. D., Okumura, M., Kjærgaard, Henrik Grum & Sander, S. P., 8 Oct 2020, In: Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory. 124, 40, p. 8128-2143 16 p.

    Research output: Contribution to journal › Journal article › Research › peer-review

  12. Published

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

    Kurten, T., Møller, Kristian Holten, Nguyen, T. B., Schwantes, R. H., Misztal, P. K., Su, L., Wennberg, P. O., Fry, J. L. & Kjærgaard, Henrik Grum, 2017, In: Journal of Physical Chemistry Letters. 8, 13, p. 2826-2834 9 p.

    Research output: Contribution to journal › Letter › Research › peer-review

  13. Published

    Are bond critical points really critical for hydrogen bonding?

    Lane, J. R., Contreras-García, J., Piquemal, J., Miller, B. J. & Kjærgaard, Henrik Grum, 2013, In: Journal of Chemical Theory and Computation. 9, 8, p. 3263-3266 4 p.

    Research output: Contribution to journal › Letter › Research › peer-review

  14. Published

    Atmospheric Autoxidation of Amines

    Møller, Kristian Holten, Berndt, T. & Kjærgaard, Henrik Grum, 15 Sep 2020, In: Environmental Science and Technology. 54, 18, p. 11087-11099 13 p.

    Research output: Contribution to journal › Journal article › Research › peer-review

  15. Published

    Atmospheric Chemistry of CH3OCF2CHF2

    Kjærgaard, E. R., Vogt, E., Møller, Kristian Holten, Nielsen, Ole John & Kjærgaard, Henrik Grum, 14 Dec 2021, In: The Journal of Physical Chemistry Part A. 125, 50, p. 10640−10648 9 p.

    Research output: Contribution to journal › Journal article › Research › peer-review

  16. Published

    Atmospheric Fate of the CH3SOO Radical from the CH3S + O2Equilibrium

    Chen, Jing, Berndt, T., Møller, Kristian Holten, Lane, J. R. & Kjærgaard, Henrik Grum, 14 Oct 2021, In: Journal of Physical Chemistry A. 125, 40, p. 8933-8941 9 p.

    Research output: Contribution to journal › Journal article › Research › peer-review

  17. Published

    Atmospheric Gas-Phase Formation of Methanesulfonic Acid

    Chen, Jing, Lane, J. R., Bates, K. H. & Kjærgaard, Henrik Grum, 2023, In: Environmental Science and Technology. 57, 50, p. 21168−21177 10 p.

    Research output: Contribution to journal › Journal article › Research › peer-review

  18. Published

    Atmospheric Hydroxyl Radical Source: Reaction of Triplet SO2 and Water

    Kroll, J. A., Frandsen, B. N., Kjærgaard, Henrik Grum & Vaida, V., 10 May 2018, In: Journal of Physical Chemistry A. 122, 18, p. 4465-4469 5 p.

    Research output: Contribution to journal › Journal article › Research › peer-review

  19. Published

    Atmospheric Oxidation of Hydroperoxy Amides

    Kjærgaard, E. R., Møller, Kristian Holten & Kjærgaard, Henrik Grum, 2023, In: Journal of Physical Chemistry A. 127, 44, p. 9311-9321 11 p.

    Research output: Contribution to journal › Journal article › Research › peer-review

  20. Published

    Atmospheric Photo-Oxidation of 2-Ethoxyethanol: Autoxidation Chemistry of Glycol Ethers

    Yu, H., Møller, Kristian Holten, Buenconsejo, R. S., Crounse, J. D., Kjærgaard, Henrik Grum & Wennberg, P. O., 2023, In: The journal of physical chemistry. A. 127, 45, p. 9564-9579 16 p.

    Research output: Contribution to journal › Journal article › Research › peer-review

  21. Published

    Atmospheric autoxidation is increasingly important in urban and suburban North America

    Praske, E., Otkjær, Rasmus Vanglo, Crounse, J. D., Hethcox, J. C., Stoltz, B. M., Kjærgaard, Henrik Grum & Wennberg, P. O., 2018, In: Proceedings of the National Academy of Sciences of the United States of America. 115, 1, p. 64-69 6 p.

    Research output: Contribution to journal › Journal article › Research › peer-review

  22. Published

    Atmospheric chemistry of hexa- and penta-fluorobenzene: UV photolysis and kinetics and mechanisms of the reactions of Cl atoms and OH radicals

    Andersen, Mads Peter Sulbæk, Lengkong, J. W., Wallberg, J., Hasager, F., Vo, K., Andersen, S. T., Kjærgaard, Henrik Grum, Wallington, T. J. & Nielsen, Ole John, 2018, In: Physical Chemistry Chemical Physics. 20, 45, p. 28796-28809 14 p.

    Research output: Contribution to journal › Journal article › Research › peer-review

  23. Published

    Atmospheric fate of methacrolein: 1. Peroxy radical isomerization following addition of OH and O2

    Crounse, J. D., Knap, H. C., Ørnsø, K. B., Jørgensen, Solvejg, Paulot, F., Kjærgaard, Henrik Grum & Wennberg, P. O., 2012, In: Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory. 116, 24, p. 5756-5762 7 p.

    Research output: Contribution to journal › Journal article › Research › peer-review

  24. Published

    Atmospheric fate of methacrolein: 2. Formation of lactone and implications for organic aerosol production

    Kjærgaard, Henrik Grum, Knap, H. C., Ørnsø, K. B., Jørgensen, Solvejg, Crounse, J. D., Paulot, F. & Wennberg, P. O., 2012, In: Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory. 116, 24, p. 5763-5768 6 p.

    Research output: Contribution to journal › Journal article › Research › peer-review

  25. Published

    Atmospheric fate of methyl vinyl ketone: peroxy radical reactions with NO and HO2

    Praske, E., Crounse, J. D., Bates, K. H., Kurtén, T., Kjærgaard, Henrik Grum & Wennberg, P. O., 2015, In: Journal of Physical Chemistry A. 119, 19, p. 4562-4572 11 p.

    Research output: Contribution to journal › Journal article › Research › peer-review

  26. Published

    Attenuated Deuterium Stabilization of Hydrogen-Bound Complexes at Room Temperature

    Kjærsgaard, Alexander, Vogt, E., Christensen, N. F. & Kjærgaard, Henrik Grum, 2020, In: Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory. 124, 9, p. 1763-1774

    Research output: Contribution to journal › Journal article › Research › peer-review

  27. Published

    Autoxidation of organic compounds in the atmosphere

    Crounse, J. D., Nielsen, L. B., Jørgensen, Solvejg, Kjærgaard, Henrik Grum & Wennberg, P. O., 2013, In: Journal of Physical Chemistry Letters. 4, 20, p. 3513-3520 8 p.

    Research output: Contribution to journal › Journal article › Research › peer-review

  28. Published

    Benchmarking ab initio binding energies of hydrogen-bonded molecular clusters based on FTIR spectroscopy

    Bork, N. C., Du, L., Reiman, H., Kurtén, T. & Kjærgaard, Henrik Grum, 2014, In: Journal of Physical Chemistry Part B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical. 118, 28, p. 5316-5322 7 p.

    Research output: Contribution to journal › Journal article › Research › peer-review

  29. Published

    Calculated Hydrogen Shift Rate Constants in Substituted Alkyl Peroxy Radicals

    Otkjær, Rasmus Vanglo, Jakobsen, H. H., Tram, C. M. & Kjærgaard, Henrik Grum, 2018, In: Journal of Physical Chemistry A. 122, 43, p. 8665-8673 8 p.

    Research output: Contribution to journal › Journal article › Research › peer-review

  30. Published

    Calculated Spectroscopy and Atmospheric Photodissociation of Phosphoric acid

    Yekutiel, M., Lane, J. R., Gupta, P. & Kjærgaard, Henrik Grum, 2010, In: Journal of Physical Chemistry A. 114, p. 7544-7552

    Research output: Contribution to journal › Journal article › Research › peer-review

  31. Published

    Calculated two-photon electronic transitions in sulfuric acid and its atmospheric relevance

    Mogensen, D., Mikkelsen, Kurt Valentin & Kjærgaard, Henrik Grum, 2010, In: Chemical Physics Letters. 498, p. 18-21

    Research output: Contribution to journal › Journal article › Research › peer-review

  32. Published

    Characterisation of dihydroazulene and vinylheptafulvene derivatives using Raman spectroscopy: the CN-stretching region

    Hansen, A. S., Mackeprang, K., Broman, S. L., Hansen, M. H., Gertsen, A. S., Kildgaard, J. V., Nielsen, O. F., Mikkelsen, Kurt Valentin, Nielsen, Mogens Brøndsted & Kjærgaard, Henrik Grum, 2016, In: Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy. 161, p. 70-76 7 p.

    Research output: Contribution to journal › Journal article › Research › peer-review

  33. Published

    Chemical properties of HULIS from three different environments

    Kristensen, T. B., Du, L., Nguyen, Q. T., Nøjgaard, J. K., Bender Koch, Christian, Nielsen, O. F., Hallar, A. G., Lowenthal, D. H., Nekat, B., van Pinxteren, D., Herrmann, H., Glasius, M., Kjærgaard, Henrik Grum & Bilde, M., 2015, In: Journal of Atmospheric Chemistry. 72, 1, p. 65-80 16 p.

    Research output: Contribution to journal › Journal article › Research › peer-review

  34. Published

    Competition between chloride and sulphate during the reformation of calcined hydrotalcite

    Eiby, Simon Holm Jacobsen, Tobler, Dominique Jeanette, Nedel, S., Bischoff, A., Christiansen, B. C., Hansen, A. S., Kjærgaard, Henrik Grum & Stipp, S. L. S., 2016, In: Applied Clay Science. 132-133, p. 650-659 10 p.

    Research output: Contribution to journal › Journal article › Research › peer-review

  35. Published

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

    Hyttinen, N., Otkjær, Rasmus Vanglo, Iyer, S., Kjærgaard, Henrik Grum, Rissanen, M. P., Wennberg, P. O. & Kurtén, T., 11 Jan 2018, In: Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory. 122, 1, p. 269-279

    Research output: Contribution to journal › Journal article › Research › peer-review

  36. Published

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

    Iyer, S., Reiman, H., Møller, Kristian Holten, Rissanen, M. P., Kjærgaard, Henrik Grum & Kurtén, T., 2018, In: Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory. 122, 49, p. 9542-9552 11 p.

    Research output: Contribution to journal › Journal article › Research › peer-review

  37. Published

    Computational Vibrational and Electronic Spectroscopy of the Water Nitric Oxide Complex

    Salmi, T., Runeberg, N., Halonen, L., Lane, J. R. & Kjærgaard, Henrik Grum, 2010, In: Journal of Physical Chemistry A. 114, p. 4835-4842

    Research output: Contribution to journal › Journal article › Research › peer-review

  38. Published

    Computational and experimental evidence of two competing thermal electrocyclization pathways for vinylheptafulvene

    Frandsen, B. N., Skov, A. B., Cacciarini, Martina, Nielsen, Mogens Brøndsted & Kjærgaard, Henrik Grum, 2019, In: Chemistry - An Asian Journal. 14, 8, p. 1111-1116 6 p.

    Research output: Contribution to journal › Journal article › Research › peer-review

  39. Published

    Computational methodology study of the optical and thermochemical properties of a molecular photoswitch

    Olsen, S. T., Elm, J., Storm, F. E., Gejl, A. N., Hansen, A. S., Hansen, M. H., Nikolajsen, J. R., Nielsen, Mogens Brøndsted, Kjærgaard, Henrik Grum & Mikkelsen, Kurt Valentin, 2015, In: Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory. 119, 5, p. 896−904 9 p.

    Research output: Contribution to journal › Journal article › Research › peer-review

  40. Published

    Computational study of hydrogen shifts and ring-opening mechanisms in α-pinene ozonolysis products

    Kurtén, T., Rissanen, M. P., Mackeprang, K., Thornton, J. A., Hyttinen, N., Jørgensen, Solvejg, Ehn, M. & Kjærgaard, Henrik Grum, 2015, In: Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory. 119, 46, p. 11366-11375 10 p.

    Research output: Contribution to journal › Journal article › Research › peer-review

  41. Published

    Conformer-Specific Photolysis of Pyruvic Acid and the Effect of Water

    Blair, S. L., Reed Harris, A. E., Frandsen, B. N., Kjærgaard, Henrik Grum, Pangui, E., Cazaunau, M., Doussin, J. & Vaida, V., 2020, In: Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory. 124, 7, p. 1240-1252

    Research output: Contribution to journal › Journal article › Research › peer-review

  42. Published

    Controlling two-step multimode switching of Dihydroazulene photoswitches

    Petersen, A. U., Broman, S. L., Olsen, S. T., Hansen, A. S., Du, L., Kadziola, Anders, Hansen, Thorsten, Kjærgaard, Henrik Grum, Mikkelsen, Kurt Valentin & Nielsen, Mogens Brøndsted, 2015, In: Chemistry: A European Journal. 21, 10, p. 3968-3977 10 p.

    Research output: Contribution to journal › Journal article › Research › peer-review

  43. Published

    Correction to “Atmospheric Chemistry of CH3OCF2CHF2”

    Kjærgaard, E. R., Vogt, E., Møller, Kristian Holten, Nielsen, Ole John & Kjærgaard, Henrik Grum, 2023, In: Journal of Physical Chemistry A. 127, 25, p. 5520–5521 2 p.

    Research output: Contribution to journal › Comment/debate › Research › peer-review

  44. Published

    Cost-Effective Implementation of Multiconformer Transition State Theory for Alkoxy Radical Unimolecular Reactions

    Zhao, Q., Møller, Kristian Holten, Chen, Jing & Kjærgaard, Henrik Grum, 2022, In: Journal of Physical Chemistry A. 126, 37, p. 6483−6494 12 p.

    Research output: Contribution to journal › Journal article › Research › peer-review

  45. Published

    Cost-effective implementation of multiconformer transition state theory for peroxy radical hydrogen shift reactions

    Møller, Kristian Holten, Otkjær, Rasmus Vanglo, Hyttinen, N., Kurten, T. & Kjærgaard, Henrik Grum, 2016, In: The Journal of Physical Chemistry Part A. 120, 51, p. 10072-10087 16 p.

    Research output: Contribution to journal › Journal article › Research › peer-review

  46. Published

    Coupling of torsion and OH-stretching in tert-butyl hydroperoxide. I. The cold and warm first OH-stretching overtone spectrum

    Hansen, A. S., Huchmala, R. M., Vogt, E., Boyer, M. A., Bhagde, T., Vansco, M. F., Jensen, C. V., Kjærsgaard, Alexander, Kjærgaard, Henrik Grum, Mccoy, A. B. & Lester, M. I., 28 Apr 2021, In: The Journal of Chemical Physics. 154, 16, 164306.

    Research output: Contribution to journal › Journal article › Research › peer-review

  47. Published

    Coupling of torsion and OH-stretching in tert-butyl hydroperoxide. II. The OH-stretching fundamental and overtone spectra

    Vogt, E., Huchmala, R. M., Jensen, C. V., Boyer, M. A., Wallberg, J., Hansen, A. S., Kjærsgaard, Alexander, Lester, M. I., Mccoy, A. B. & Kjærgaard, Henrik Grum, 28 Apr 2021, In: The Journal of Chemical Physics. 154, 16, 164307.

    Research output: Contribution to journal › Journal article › Research › peer-review

  48. Published

    Criegee intermediates react with ozone

    Kjærgaard, Henrik Grum, Kurten, T., Nielsen, L. B., Jørgensen, Solvejg & Wennberg, P. O., 2013, In: Journal of Physical Chemistry Letters. 4, 15, p. 2525-2529 5 p.

    Research output: Contribution to journal › Journal article › Research › peer-review

  49. Published

    Cryogenic Absorption and Emission Spectroscopy of the Oxyluciferin Anion In Vacuo

    Langeland, J., Christensen, Nanna Falk, Vogt, E., Kjær, C., Lindkvist, T. T., Nielsen, S. B. & Kjærgaard, Henrik Grum, 2023, In: The Journal of Physical Chemistry Letters. 14, 25, p. 5949-5954 6 p.

    Research output: Contribution to journal › Journal article › Research › peer-review

  50. Published

    Cryogenic fluorescence spectroscopy of oxazine ions isolated in vacuo

    Kjær, C., Vogt, E., Langeland, J., Christensen, Nanna Falk, Lindkvist, T. T., Kjærgaard, Henrik Grum & Nielsen, S. B., 2023, In: Physical Chemistry Chemical Physics. 25, 47, p. 32715-32722 8 p.

    Research output: Contribution to journal › Journal article › Research › peer-review

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