Henrik Grum Kjærgaard

Henrik Grum Kjærgaard

Professor


  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 journalJournal articleResearchpeer-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 journalJournal articleResearchpeer-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 journalJournal articleResearchpeer-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 journalJournal articleResearchpeer-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 journalJournal articleResearchpeer-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 journalJournal articleResearchpeer-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 journalJournal articleResearchpeer-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 journalJournal articleResearchpeer-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 journalJournal articleResearchpeer-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 journalJournal articleResearchpeer-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 journalJournal articleResearchpeer-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 journalJournal articleResearchpeer-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 journalJournal articleResearchpeer-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 journalJournal articleResearchpeer-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 journalJournal articleResearchpeer-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 journalJournal articleResearchpeer-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 journalJournal articleResearchpeer-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 journalJournal articleResearchpeer-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 journalJournal articleResearchpeer-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 journalJournal articleResearchpeer-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 journalJournal articleResearchpeer-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 journalJournal articleResearchpeer-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 journalJournal articleResearchpeer-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 journalJournal articleResearchpeer-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 journalJournal articleResearchpeer-review

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