Henrik Grum Kjærgaard

Henrik Grum Kjærgaard

Professor

ORCID: 0000-0002-7275-8297

Publication year:
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1 - 50 out of 157Page size: 50
  1. 2009
  2. Published

    Unexpected epoxide formation in the gas-phase photooxidation of isoprene

    Paulot, F., Crounse, J. D., Kjærgaard, Henrik Grum, Kürten, A., St Clair, J. M., Seinfeld, J. H. & Wennberg, P. O., 2009, In: Science. 325, 5941, p. 730-733 4 p.

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

  3. Published

    Identification of the water amidogen radical complex

    Ennis, C. P., Lane, J. R., Kjærgaard, Henrik Grum & McKinley, A. J., 4 Feb 2009, In: Journal of the American Chemical Society. 131, p. 1358-9

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

  4. Published

    Explicitly correlated intermolecular distances and interaction energies of hydrogen bonded complexes

    Lane, J. R. & Kjærgaard, Henrik Grum, 21 Jul 2009, In: Journal of Chemical Physics. 131, p. 034307 9 p.

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

  5. 2010
  6. 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

  7. 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

  8. 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

  9. Published

    Molecular dynamic simulations of OH-stretching overtone induced photodissociation of fluorosulfonic and chlorosulfonic acid

    Gupta, P., Lane, J. R. & Kjærgaard, Henrik Grum, 2010, In: Physical Chemistry Chemical Physics. 12, p. 8277-8284

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

  10. Published

    Nitrate radical addition-elimination reactions of atmospherically relevant sulfur-containing molecules

    Kurten, T., Lane, J. R., Jørgensen, Solvejg & Kjærgaard, Henrik Grum, 2010, In: Physical Chemistry Chemical Physics. 12, p. 12833 12839 p.

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

  11. Published

    Overtone Spectra of 2-mercaptoethanol and 1,2-ethanedithiol

    Miller, B. J., Yekutiel, M., Sodergren, A. H., Howard, D. L., Dunn, M. E., Vaida, V. & Kjærgaard, Henrik Grum, 2010, In: Journal of Physical Chemistry A. 114, p. 12692-12700

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

  12. Published

    Response to Comment on “Unexpected epoxide formation in the gas-phase photooxidation of isoprene”

    Paulot, F., Crounse, J. D., Kjærgaard, Henrik Grum, Kürten, A., St. Clair, J. M., Seinfeld, J. H. & Wennberg, P. O., 2010, In: Science. 327, p. 644c

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

  13. Published

    XH-stretching overtone transitions calculated using explicitly correlated coupled cluster methods

    Lane, J. R. & Kjærgaard, Henrik Grum, 2010, In: Journal of Chemical Physics. 132

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

  14. Published

    Effect of Hydration on the Hydrogen Abstraction Reaction by HO in DMS and its Oxidation Products

    Jørgensen, Solvejg & Kjærgaard, Henrik Grum, 15 Apr 2010, In: Journal of Physical Chemistry A. 114, p. 4857 4865 p.

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

  15. 2011
  16. 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

  17. Published

    Defining the hydrogen bond: An account (IUPAC Technical Report)

    Arunan, E., Desiraju, G. R., Klein, R. A., Sadej, J., Scheiner, S., Alkorta, I., Clary, D. C., Crabtree, R. H., Dannenberg, J. J., Hobza, P., Kjærgaard, Henrik Grum, Legon, A. C., Mennucci, B. & Nesbitt, D. J., 2011, In: Pure and Applied Chemistry. 83, p. 1619–1636

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

  18. Published

    Definition of the hydrogen bond (IUPAC Recommendations 2011)

    Arunan, E., Desiraju, G. R., Klein, R. A., Sadlej, J., Scheiner, S., Alkorta, I., Clary, D. C., Crabtree, R. H., Dannenberg, J. J., Hobza, P., Kjærgaard, Henrik Grum, Legon, A. C., Mennucci, B. & Nesbitt, D. J., 2011, In: Pure and Applied Chemistry. 83, p. 1637–1641

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

  19. Published

    Fourier Transform Infrared Spectroscopy and Theoretical Study of Dimethylamine Dimer in the Gas Phase

    Du, L. & Kjærgaard, Henrik Grum, 2011, In: Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory. 115, p. 12097-12104

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

  20. Published

    Intramolecular OH...Pi interactions in alkenols and alkynols

    Miller, B. J., Lane, J. R. & Kjærgaard, Henrik Grum, 2011, In: Physical Chemistry Chemical Physics. 13, p. 14183–14193

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

  21. Published

    Peroxy radical isomerization in the oxidation of isoprene

    Crouse, J. D., Paulot, F., Kjærgaard, Henrik Grum & Wennberg, P. O., 2011, In: Physical chemistry chemical physics : PCCP. 13, p. 13607-13613 7 p.

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

  22. Published

    Ultraviolet absorption cross sections of carbonyl sulfide isotopologues OC32S, OC33S, OC34S and O13C: isotopic fractionation in photolysis and atmospheric implications

    Hattori, S., Danielache, S. O., Johnson, Matthew Stanley, Schmidt, J. A., Kjærgaard, Henrik Grum, Toyoda, S., Ueno, Y. & Yoshida, N., 2011, In: Atmospheric Chemistry and Physics. 11, p. 10293-10303 11 p.

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

  23. Published

    Widening of the hydrogen bonded OH-streching bands due to the wagging and OO-stretching modes in H2O.H2O

    Garden, A. L., Halonen, L. & Kjærgaard, Henrik Grum, 2011, In: Chemical Physics Letters. 513, p. 167-172

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

  24. 2012
  25. 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

  26. 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

  27. 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

  28. Published

    Design aspects of bright red emissive silver nanoclusters/DNA probes for microRNA detection

    Shah, P., Rørvig-Lund, A., Chaabane, S. B., Thulstrup, Peter Waaben, Kjærgaard, Henrik Grum, Fron, E., Hofkens, J., Yang, S. W. & Vosch, Tom, 2012, In: A C S Nano. 6, 10, p. 8803–8814 12 p.

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

  29. Published

    Identification of the dimethylamine-trimethylamine complex in the gas phase

    Du, L., Lane, J. R. & Kjærgaard, Henrik Grum, 2012, In: Journal of Chemical Physics. 136, 18, 8 p., 184305.

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

  30. Published

    On the possible catalysis by single water molecules of gas-phase hydrogen abstraction reactions by OH radicals

    Thomsen, D. L., Kurten, T., Jørgensen, Solvejg, Wallington, T. J., Baggesen, S. B., Aalling, C. & Kjærgaard, Henrik Grum, 2012, In: Physical Chemistry Chemical Physics. 14, 37, p. 12992-12999 8 p.

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

  31. Published

    Peroxy radical chemistry and OH radical production during the NO3-initiated oxidation of isoprene

    Kwan, A. J., Chan, A. W. H., Ng, N. L., Kjærgaard, Henrik Grum, Seinfeld, J. H. & Wennberg, P. O., 2012, In: Atmospheric Chemistry and Physics. 12, 16, p. 7499-7515 17 p.

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

  32. 2013
  33. 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

  34. 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

  35. 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

  36. Published

    Fayum mummy portraits investigated by NIR-FT- Raman microscopy

    Reeler, N. E. A., Nielsen, O. F., Spaabæk, L., Jørgensen, M. & Kjærgaard, Henrik Grum, 2013, In: Asian Chemistry Letters. 17, 1-2, p. 1-12 12 p.

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

  37. Published

    Fundamental and overtone vibrational spectroscopy, enthalpy of hydrogen bond formation and equilibrium constant determination of the methanol-dimethylamine complex

    Du, L., Mackeprang, K. & Kjærgaard, Henrik Grum, 2013, In: Physical Chemistry Chemical Physics. 15, 25, p. 10194-10206 13 p.

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

  38. Published

    Intramolecular interactions in 2-aminoethanol and 3-aminopropanol

    Thomsen, D. L., Axson, J. L., Schrøder, S. D., Lane, J. R., Vaida, V. & Kjærgaard, Henrik Grum, 2013, In: Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory. 117, 40, p. 10260-10273 14 p.

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

  39. Published

    Methyl chavicol reactions with ozone, OH and NO3 radicals: rate constants and gas-phase products

    Gai, Y., Wang, W., Ge, M., Kjærgaard, Henrik Grum, Jørgensen, Solvejg & Du, L., 2013, In: Atmospheric Environment. 77, p. 696-702 7 p.

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

  40. Published

    Osmotic coefficients

    Nielsen, O. F., Bilde, M. & Kjærgaard, Henrik Grum, 2013. 1 p.

    Research output: Contribution to conference › Poster › Research

  41. Published

    Osmotic coefficients

    Nielsen, O. F., Bilde, M. & Kjærgaard, Henrik Grum, 2013. 1 p.

    Research output: Contribution to conference › Conference abstract for conference › Research

  42. Published

    Raman af hvide pigmenter

    Reeler, N. E. A., Nielsen, O. F., Sauer, Stephan P. A., Kjærgaard, Henrik Grum, Borring, N., Filtenborg, T., Vila, A. & Wadum, J., 2013, In: Dansk Kemi. 94, 12, p. 30-34 4 p.

    Research output: Contribution to journal › Journal article › Research

  43. Published

    The gas-phase reaction of methane sulfonic acid with the hydroxyl radical without and with water vapor

    Jørgensen, Solvejg, Jensen, C., Kjærgaard, Henrik Grum & Anglada, J. M., 2013, In: Physical Chemistry Chemical Physics. 15, 14, p. 5140-5150 11 p.

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

  44. Published

    Ultrathin reduced graphene oxide films as transparent top-contacts for light switchable solid-state molecular junctions

    Li, T., Jevric, M., Hauptmann, J. R., Hviid, R., Wei, Z., Wang, R., Reeler, N. E. A., Thyrhaug, E., Petersen, S. V., Meyer, J. A. S., Bovet, N. E., Vosch, T. A. J., Nygård, J., Qiu, X., Hu, W., Liu, Y., Solomon, G. C., Kjærgaard, H. G., Bjørnholm, T., Nielsen, M. B. & 2 others, Laursen, Bo Wegge & Nørgaard, K., 2013, In: Advanced Materials. 25, 30, p. 4164-4170 7 p.

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

  45. Published

    Weak intramolecular OH---Π hydrogen bonding in methallyl- and allyl-carbinol

    Mackeprang, K., Schrøder, S. D. & Kjærgaard, Henrik Grum, 2013, In: Chemical Physics Letters. 582, p. 31-37 7 p.

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

  46. 2014
  47. 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

  48. 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

  49. Published

    Identification and characterization of the HCl-DMS gas phase molecular complex via infrared spectroscopy and electronic structure calculations

    Bork, N. C., Du, L. & Kjærgaard, Henrik Grum, 2014, In: Journal of Physical Chemistry Part B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical. 118, 8, p. 1384-1389 6 p.

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

  50. Published

    Positively charged phosphorus as a hydrogen bond acceptor

    Hansen, A. S., Du, L. & Kjærgaard, Henrik Grum, 2014, In: Journal of Physical Chemistry Letters. 5, 23, p. 4225-4231 7 p.

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

  51. Published

    Resolving the anomalous infrared spectrum of the MeCN-HCl molecular cluster using ab Initio molecular dynamics

    Bork, N. C., Loukonen, V., Kjærgaard, Henrik Grum & Vehkamäki, H., 2014, In: Physical Chemistry Chemical Physics. 16, 45, p. 24685-24690 6 p.

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

  52. Published

    Similar strength of the NH⋯O and NH⋯S hydrogen bonds in binary complexes

    Andersen, C. L., Jensen, C. S., Mackeprang, K., Du, L., Jørgensen, Solvejg & Kjærgaard, Henrik Grum, 2014, In: Journal of Physical Chemistry A. 118, 46, p. 11074-11082 9 p.

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

  53. Published

    The effect of fluorine substitution in alcohol-amine complexes

    Hansen, A. S., Du, L. & Kjærgaard, Henrik Grum, 2014, In: Physical chemistry chemical physics : PCCP. 16, 41, p. 22882-22891 10 p.

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

  54. Published

    The effect of large amplitude motions on the transition frequency redshift in hydrogen bonded complexes: a physical picture

    Mackeprang, K., Kjærgaard, Henrik Grum, Salmi, T., Hänninen, V. & Halonen, L., 2014, In: Journal of Chemical Physics. 140, 9 p., 184309.

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

  55. Published

    The formation of highly oxidized multifunctional products in the ozonolysis of cyclohexene

    Rissanen, M. P., Kurtén, T., Sipilä, M., Thornton, J. A., Kangasluoma, J., Sarnela, N., Junninen, H., Jørgensen, Solvejg, Schallhart, S., Kajos, M. K., Taipale, R., Springer, M., Mentel, T. F., Ruuskanen, T., Petäjä, T., Worsnop, D. R., Kjærgaard, Henrik Grum & Ehn, M., 2014, In: Journal of the American Chemical Society. 136, 44, p. 15596-15606 11 p.

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

  56. Published

    Theoretical study, and infrared and Raman spectra of copper(II) chelated complex with dibenzoylmethane

    Nekoei, A., Vakili, M., Hakimi-Tabar, M., Tayyari, S. F., Afzali, R. & Kjærgaard, Henrik Grum, 2014, In: Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy. 128, p. 272-279 8 p.

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

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