Henrik Grum Kjærgaard
Professor
Department of Chemistry
Universitetsparken 5
2100 København Ø
- 2015
- 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
- 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
- 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
- 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
- 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
- Published
Effects of chemical complexity on the autoxidation mechanisms of endocyclic alkene ozonolysis products: from methylcyclohexenes toward understanding α-pinene
Rissanen, M. P., Kurtén, T., Sipilä, M., Thornton, J. A., Kausiala, O., Garmash, O., Kjærgaard, Henrik Grum, Petäjä, T., Worsnop, D. R., Ehn, M. & Kulmala, M., 2015, In: Journal of Physical Chemistry A. 119, 19, p. 4633-4650 18 p.Research output: Contribution to journal › Journal article › Research › peer-review
- Published
Gas phase detection of the NH-P hydrogen bond and importance of secondary interactions
Møller, Kristian Holten, Hansen, A. S. & Kjærgaard, Henrik Grum, 2015, In: Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory. 119, 44, p. 10988-10998 11 p.Research output: Contribution to journal › Journal article › Research › peer-review
- Published
Infrared and near-infrared spectroscopy of acetylacetone and hexafluoroacetylacetone
Howard, D. L., Kjærgaard, Henrik Grum, Huang, J. & Meuwly, M., 2015, In: Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory. 119, 29, p. 7980-7990 11 p.Research output: Contribution to journal › Journal article › Research › peer-review
- Published
Interactions between tetrathiafulvalene units in dimeric structures – the influence of cyclic cores
Jiang, H., Mazzanti, V., Parker, C. R., Broman, S. L., Wallberg, J. H., Luspai, K., Brincko, A., Kjærgaard, Henrik Grum, Kadziola, Anders, Rapta, P., Hammerich, Ole & Nielsen, Mogens Brøndsted, 2015, In: Beilstein Journal of Organic Chemistry. 11, p. 930-948 19 p.Research output: Contribution to journal › Journal article › Research › peer-review
- Published
Intramolecular hydrogen bonding in methyl lactate
Schrøder, S. D., Wallberg, J. H., Kroll, J. A., Maroun, Z., Vaida, V. & Kjærgaard, Henrik Grum, 2015, In: Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory. 119, 37, p. 9692-9702 11 p.Research output: Contribution to journal › Journal article › Research › peer-review
- Published
Mechanism of the hydroxyl radical oxidation of methacryloyl peroxynitrate (MPAN) and its pathway toward secondary organic aerosol formation in the atmosphere
Nguyen, T. B., Bates, K. H., Crounse, J. D., Schwantes, R. H., Zhang, X., Kjærgaard, Henrik Grum, Surratt, J. D., Lin, P., Laskin, A., Seinfeld, J. H. & Wennberg, P. O., 2015, In: Physical Chemistry Chemical Physics. 17, 27, p. 17914-17926 13 p.Research output: Contribution to journal › Journal article › Research › peer-review
- Published
Photoabsorption cross-section measurements of 32S, 33S, 34S, and 36S sulfur dioxide from 190 to 220 nm
Endo, Y., Danielache, S. O., Ueno, Y., Hattori, S., Johnson, Matthew Stanley, Yoshida, N. & Kjærgaard, Henrik Grum, 2015, In: Journal of Geophysical Research: Biogeosciences. 120, 6, p. 2546-2557 12 p.Research output: Contribution to journal › Journal article › Research › peer-review
- Published
The effect of large amplitude motions on the vibrational intensities in hydrogen bonded complexes
Mackeprang, K., Hänninen, V., Halonen, L. & Kjærgaard, Henrik Grum, 2015, In: Journal of Chemical Physics. 142, 10 p., 094304.Research output: Contribution to journal › Journal article › Research › peer-review
- Published
Theoretical investigation of the hydrogen shift reactions in peroxy radicals derived from the atmospheric decomposition of 3-methyl-3-buten-1-ol (MBO331)
Knap, H. C., Jørgensen, Solvejg & Kjærgaard, Henrik Grum, 2015, In: Chemical Physics Letters. 619, p. 236-240 5 p.Research output: Contribution to journal › Journal article › Research › peer-review
- Published
Towards solar energy storage in the photochromic dihydroazulene-vinylheptafulvene system
Cacciarini, Martina, Skov, A. B., Jevric, M., Hansen, A. S., Elm, J., Kjærgaard, Henrik Grum, Mikkelsen, Kurt Valentin & Nielsen, Mogens Brøndsted, 2015, In: Chemistry: A European Journal. 21, 20, p. 7454-7461 8 p.Research output: Contribution to journal › Journal article › Research › peer-review
- Published
Unusual low-energy near-infrared bands for ferrocenyl-naphthalimide donor-acceptor dyads with aromatic spacer groups: prediction by time-dependent DFT and observation by OTTLE spectroscopy
Tagg, T., Kjærgaard, Henrik Grum, Lane, J. R., McAdam, C. J., Robinson, B. H. & Simpson, J., 2015, In: Organometallics. 34, 11, p. 2662-2666 5 p.Research output: Contribution to journal › Journal article › Research › peer-review
- 2016
- 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
- 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
- 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
- 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
- Published
Hydroxyl radical-induced formation of highly oxidized organic compounds
Berndt, T., Richters, S., Jokinen, T., Hyttinen, N., Kurtén, T., Otkjær, Rasmus Vanglo, Kjærgaard, Henrik Grum, Stratmann, F., Herrmann, H., Sipilä, M., Kulmala, M. & Ehn, M., 2016, In: Nature Communications. 7, 8 p., 13677.Research output: Contribution to journal › Journal article › Research › peer-review
- Published
Identification of OSSO as a near-UV absorber in the Venusian atmosphere
Frandsen, B. N., Wennberg, P. O. & Kjærgaard, Henrik Grum, 2016, In: Geophysical Research Letters. 43, 21, p. 11,146-11,155 10 p.Research output: Contribution to journal › Journal article › Research › peer-review
- Published
Infrared spectroscopic probing of dimethylamine clusters in an Ar matrix
Li, S., Kjærgaard, Henrik Grum & Du, L., 2016, In: Journal of Environmental Sciences. 40, p. 51-59 9 p.Research output: Contribution to journal › Journal article › Research › peer-review
- Published
Intramolecular hydrogen bonding in substituted aminoalcohols
Lane, J. R., Schrøder, S. D., Saunders, G. C. & Kjærgaard, Henrik Grum, 2016, In: Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory. 120, 32, p. 6371-6378 8 p.Research output: Contribution to journal › Journal article › Research › peer-review
- Published
Kinetics and products of the reaction of the first-generation isoprene hydroxy hydroperoxide (ISOPOOH) with OH
St. Clair, J. M., Rivera-Rios, J. C., Crounse, J. D., Knap, H. C., Bates, K. H., Teng, A. P., Jørgensen, Solvejg, Kjærgaard, Henrik Grum, Keutsch, F. N. & Wennberg, P. O., 2016, In: Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory. 120, 9, p. 1441–1451 11 p.Research output: Contribution to journal › Journal article › Research › peer-review
- Published
On the association of neutral and cationic tris(tetrathiafulvaleno)dodecadehydro[18]annulenes
Parker, C. R., Rue, K. L., Christensen, M. A., Lušpai, K., Rapta, P., Sørensen, Thomas Just, Morsing, T. J., Du, L., Kjærgaard, Henrik Grum, Hammerich, Ole, Diederich, F. & Nielsen, Mogens Brøndsted, 2016, In: Organic & Biomolecular Chemistry. 14, 2, p. 425-429 5 p.Research output: Contribution to journal › Letter › Research › peer-review
- Published
Production and fate of C4 dihydroxycarbonyl compounds from isoprene oxidation
Bates, K. H., Nguyen, T. B., Teng, A. P., Crounse, J. D., Kjærgaard, Henrik Grum, Stoltz, B. M., Seinfeld, J. H. & Wennberg, P. O., 2016, In: Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory. 120, 1, p. 106-117 12 p.Research output: Contribution to journal › Journal article › Research › peer-review
- Published
Rapid hydrogen shift scrambling in hydroperoxy-substituted organic peroxy radicals
Jørgensen, Solvejg, Knap, H. C., Otkjær, Rasmus Vanglo, Jensen, A. M., Kjeldsen, M. L. H., Wennberg, P. O. & Kjærgaard, Henrik Grum, 2016, In: Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory. 120, 2, p. 266-275 10 p.Research output: Contribution to journal › Journal article › Research › peer-review
- Published
Solar thermal energy storage in a photochromic macrocycle
Vlasceanu, A., Broman, S. L., Hansen, A. S., Skov, A. B., Cacciarini, Martina, Kadziola, Anders, Kjærgaard, Henrik Grum, Mikkelsen, Kurt Valentin & Nielsen, Mogens Brøndsted, 2016, In: Chemistry: A European Journal. 22, 31, p. 10796-10800 5 p.Research output: Contribution to journal › Journal article › Research › peer-review
- Published
Spectroscopy and dynamics of double proton transfer in formic acid dimer
Mackeprang, K., Xu, Z., Maroun, Z., Meuwly, M. & Kjærgaard, Henrik Grum, 2016, In: Physical Chemistry Chemical Physics. 18, 35, p. 24654-24662 9 p.Research output: Contribution to journal › Journal article › Research › peer-review
- Published
Theoretical investigation of substituent effects on the dihydroazulene/vinylheptafulvene photoswitch: increasing the energy storage capacity
Hansen, M. H., Elm, J., Olsen, S. T., Gejl, A. N., Storm, F. E., Frandsen, B. N., Skov, A. B., Nielsen, Mogens Brøndsted, Kjærgaard, Henrik Grum & Mikkelsen, Kurt Valentin, 2016, In: Journal of Physical Chemistry A. 120, 49, p. 9782-9793 12 p.Research output: Contribution to journal › Journal article › Research › peer-review
- Published
Unimolecular HO2 loss from peroxy radicals formed in autoxidation is unlikely under atmospheric conditions
Hyttinen, N., Knap, H. C., Rissanen, M. P., Jørgensen, Solvejg, Kjærgaard, Henrik Grum & Kurtén, T., 2016, In: Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory. 120, 20, p. 3588-3595 8 p.Research output: Contribution to journal › Journal article › Research › peer-review
- 2017
- 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
- Published
Dimethyl Sulfoxide Complexes Detected at Ambient Conditions
Hansen, A. S. & Kjærgaard, Henrik Grum, 2017, In: The Journal of Physical Chemistry Part A. 121, 32, p. 6046-6053 8 p.Research output: Contribution to journal › Journal article › Research › peer-review
- Published
Isomerization of Second-Generation Isoprene Peroxy Radicals: Epoxide Formation and Implications for Secondary Organic Aerosol Yields
D'Ambro, E. L., Møller, Kristian Holten, Lopez-Hilfiker, F. D., Schobesberger, S., Liu, J., Shilling, J. E., Lee, B. H., Kjærgaard, Henrik Grum & Thornton, J. A., 2017, In: Environmental Science and Technology. 51, 9, p. 4978-4987 10 p.Research output: Contribution to journal › Journal article › Research › peer-review
- Published
Kinetic Energy Density as a Predictor of Hydrogen-Bonded OH-Stretching Frequencies
Lane, J. R., Hansen, A. S., Mackeprang, K. & Kjærgaard, Henrik Grum, 2017, In: J. Phys. Chem. A. 121, 18 , p. 3452-3460 9 p.Research output: Contribution to journal › Journal article › Research › peer-review
- Published
Lagring af solenergi i molekylære batterier
Olsen, S. T., Nielsen, Mogens Brøndsted, Kjærgaard, Henrik Grum & Mikkelsen, Kurt Valentin, 2017, In: Dansk Kemi. 98, 10, p. 16-19 4 p.Research output: Contribution to journal › Journal article › Communication
- Published
Photoswitchable Dihydroazulene Macrocycles for Solar Energy Storage: The Effects of Ring Strain
Vlasceanu, A., Frandsen, B. N., Skov, A. B., Hansen, A. S., Rasmussen, M. G., Kjærgaard, Henrik Grum, Mikkelsen, Kurt Valentin & Nielsen, Mogens Brøndsted, 2017, In: The Journal of Organic Chemistry. 82, 19, p. 10398-10407 10 p.Research output: Contribution to journal › Journal article › Research › peer-review
- Published
Side-by-Side Comparison of Hydroperoxide and Corresponding Alcohol as Hydrogen-Bond Donors
Møller, Kristian Holten, Tram, C. M. & Kjærgaard, Henrik Grum, 2017, In: Journal of Physical Chemistry A. 121, 15, p. 2951-2959 9 p.Research output: Contribution to journal › Journal article › Research › peer-review
- Published
Subtle differences in the hydrogen bonding of alcohol to divalent oxygen and sulfur
Du, L., Tang, S., Hansen, A. S., Frandsen, B. N., Maroun, Z. & Kjærgaard, Henrik Grum, 2017, In: Chemical Physics Letters. 667, p. 146-153 8 p.Research output: Contribution to journal › Journal article › Research › peer-review
- Published
The weak fundamental NH-stretching transition in amines
Schrøder, S. D., Hansen, A. S., Wallberg, J. H., Nielsen, A. R., Du, L. & Kjærgaard, Henrik Grum, 2017, In: Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy. 173, p. 201-206 6 p.Research output: Contribution to journal › Journal article › Research › peer-review
- Published
Towards Storage of Solar Energy in Photochromic Molecules: Benzannulation of the Dihydroazulene/Vinylheptafulvene Couple
Skov, A. B., Petersen, J. F., Elm, J., Frandsen, B. N., Santella, M., Kilde, M. D., Kjærgaard, Henrik Grum, Mikkelsen, Kurt Valentin & Nielsen, Mogens Brøndsted, 2017, In: ChemPhotoChem. 1, 5, p. 206-212 7 p.Research output: Contribution to journal › Journal article › Research › peer-review
- Published
Ultraviolet Spectroscopy of the Gas Phase Hydration of Methylglyoxal
Kroll, J. A., Hansen, A. S., Møller, Kristian Holten, Axson, J. L., Kjærgaard, Henrik Grum & Vaida, V., 2017, In: ACS Earth and Space Chemistry . 1, 6, p. 345-352 8 p.Research output: Contribution to journal › Journal article › Research › peer-review
- Published
Vibrational transitions in hydrogen bonded bimolecular complexes – A local mode perturbation theory approach to transition frequencies and intensities
Mackeprang, K. & Kjærgaard, Henrik Grum, 2017, In: Journal of Molecular Spectroscopy. 334, p. 1-9 9 p.Research output: Contribution to journal › Journal article › Research › peer-review
- 2018
- 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
- 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
- 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
- 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
- Published
Fundamental FH-stretching transition frequencies and oscillator strengths in hydrogen bonded FH complexes
Mackeprang, K., Vogt, E., Lisy, J. M. & Kjærgaard, Henrik Grum, 2018, In: Chemical Physics Letters. 692, p. 291-297 7 p.Research output: Contribution to journal › Journal article › Research › peer-review
- Published
Hybridization of Nitrogen Determines Hydrogen-Bond Acceptor Strength: Gas-Phase Comparison of Redshifts and Equilibrium Constants
Møller, Kristian Holten, Kjærsgaard, Alexander, Reinholdt, A. S., Du, L. & Kjærgaard, Henrik Grum, 2018, In: Journal of Physical Chemistry A. 122, 15, p. 3899-3908 10 p.Research output: Contribution to journal › Journal article › Research › peer-review
ID: 11071974
Most downloads
-
1595
downloads
The effect of fluorine substitution in alcohol-amine complexes
Research output: Contribution to journal › Journal article › Research › peer-review
Published -
1094
downloads
Interactions between tetrathiafulvalene units in dimeric structures – the influence of cyclic cores
Research output: Contribution to journal › Journal article › Research › peer-review
Published -
178
downloads
Highly Oxygenated Organic Molecules (HOM) from Gas-Phase Autoxidation Involving Peroxy Radicals: A Key Contributor to Atmospheric Aerosol
Research output: Contribution to journal › Review › Research › peer-review
Published