Henrik Grum Kjærgaard
Professor
Department of Chemistry
Universitetsparken 5
2100 København Ø
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Kinetics and Product Yields of the OH Initiated Oxidation of Hydroxymethyl Hydroperoxide
Allen, H. M., Crounse, J. D., Bates, K. H., Teng, A. P., Krawiec-Thayer, M. P., Rivera-Rios, J. C., Keutsch, F. N., St Clair, J. M., Hanisco, T. F., Møller, Kristian Holten, Kjærgaard, Henrik Grum & Wennberg, P. O., 2018, In: Journal of Physical Chemistry A. 122, 30, p. 6292-6302 11 p.Research output: Contribution to journal › Journal article › Research › peer-review
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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
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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
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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. 1637–1641Research output: Contribution to journal › Journal article › Research › peer-review
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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. 1619–1636Research output: Contribution to journal › Journal article › Research › peer-review
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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
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Trimethylamine Outruns Terpenes and Aromatics in Atmospheric Autoxidation
Berndt, T., Møller, Kristian Holten, Herrmann, H. & Kjærgaard, Henrik Grum, 27 May 2021, In: Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory. 125, 20, p. 4454-4466 13 p.Research output: Contribution to journal › Journal article › Research › peer-review
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Hydrotrioxide (ROOOH) formation in the atmosphere
Berndt, T., Chen, Jing, Kjaergaard, E. R., Møller, Kristian Holten, Tilgner, A., Hoffmann, E. H., Herrmann, H., Crounse, J. D., Wennberg, P. O. & Kjærgaard, Henrik Grum, 27 May 2022, In: Science. 376, 6596, p. 979-982 4 p.Research output: Contribution to journal › Journal article › Research › peer-review
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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
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SO2 formation and peroxy radical isomerization in the atmospheric reaction of OH radicals with dimethyl disulfide
Berndt, T., Chen, Jing, Møller, Kristian Holten, Hyttinen, N., Prisle, N. L., Tilgner, A., Hoffmann, E. H., Herrmann, H. & Kjærgaard, Henrik Grum, 2020, In: Chemical Communications. 56, 88, p. 13634-13637 4 p.Research output: Contribution to journal › Letter › Research › peer-review
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Highly Oxygenated Organic Molecules (HOM) from Gas-Phase Autoxidation Involving Peroxy Radicals: A Key Contributor to Atmospheric Aerosol
Bianchi, F., Kurtén, T., Riva, M., Mohr, C., Rissanen, M. P., Roldin, P., Berndt, T., Crounse, J. D., Wennberg, P. O., Mentel, T. F., Wildt, J., Junninen, H., Jokinen, T., Kulmala, M., Worsnop, D. R., Thornton, J. A., Donahue, N., Kjærgaard, Henrik Grum & Ehn, M., 2019, In: Chemical Reviews. 119, 6, p. 3472-3509Research output: Contribution to journal › Review › Research › peer-review
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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. 1240-1252Research output: Contribution to journal › Journal article › Research › peer-review
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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
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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
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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
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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
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Unimolecular Reactions Following Indoor and Outdoor Limonene Ozonolysis
Chen, Jing, Møller, Kristian Holten, Wennberg, P. O. & Kjærgaard, Henrik Grum, 21 Jan 2021, In: Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory. 125, 2, p. 669-680 12 p.Research output: Contribution to journal › Journal article › Research › peer-review
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Reaction of Atmospherically Relevant Sulfur-Centered Radicals with RO2 and HO2
Chen, Jing, Lane, J. R. & Kjærgaard, Henrik Grum, 2023, In: Journal of Physical Chemistry A. 127, 13, p. 2986-2991 6 p.Research output: Contribution to journal › Journal article › Research › peer-review
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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
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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
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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
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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
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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
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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
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Formation of Highly Oxidized Molecules from NO3 Radical Initiated Oxidation of Delta-3-Carene: A Mechanistic Study
Draper, D. C., Myllys, N., Hyttinen, N., Møller, Kristian Holten, Kjærgaard, Henrik Grum, Fry, J. L., Smith, J. N. & Kurten, T., Aug 2019, In: ACS Earth and Space Chemistry . 3, 8, p. 1460-1470Research output: Contribution to journal › Journal article › Research › peer-review
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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
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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
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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. 12097-12104Research output: Contribution to journal › Journal article › Research › peer-review
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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
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Oxidation kinetics of n-pentanol: A theoretical study of the reactivity of the 1‑hydroxy‑1-peroxypentyl radical
Duan, Y., Monge-palacios, M., Grajales-gonzalez, E., Han, D., Møller, Kristian Holten, Kjærgaard, Henrik Grum & Sarathy, S. M., 1 Sep 2020, In: Combustion and Flame. 219, p. 20-32 13 p.Research output: Contribution to journal › Journal article › Research › peer-review
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Pathways to Highly Oxidized Products in the Δ3-Carene + OH System
D’Ambro, E. L., Hyttinen, N., Møller, Kristian Holten, Iyer, S., Otkjær, Rasmus Vanglo, Bell, D. M., Liu, J., Lopez-Hilfiker, F. D., Schobesberger, S., Shilling, J. E., Zelenyuk, A., Kjærgaard, Henrik Grum, Thornton, J. A. & Kurtén, T., 15 Feb 2022, In: Environmental Science and Technology. 56, 4, p. 2213-2224 12 p.Research output: Contribution to journal › Journal article › Research › peer-review
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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, , 2014, In: Nature. 506, 7489, p. 476-479 4 p.Research output: Contribution to journal › Letter › Research › peer-review
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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
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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
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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. 1358-9Research output: Contribution to journal › Journal article › Research › peer-review
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Simulated Electronic Absorption Spectra of Sulfur-Containing Molecules Present in Earth's Atmosphere
Farahani, S., Frandsen, B. N., Kjærgaard, Henrik Grum & Lane, J. R., 1 Aug 2019, In: Journal of Physical Chemistry A. 123, 30, p. 6605-6617Research output: Contribution to journal › Journal article › Research › peer-review
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Quantum Effects for a Proton in a Low-Barrier, Double-Well Potential: Core Level Photoemission Spectroscopy of Acetylacetone
Feyer, V., Prince, K. C., Coreno, M., Melandri, S., Maris, A., Evangelisti, L., Caminati, W., Giuliano, B. M., Kjærgaard, Henrik Grum & Carravetta, V., 2018, In: Journal of Physical Chemistry Letters. 9, 3, p. 521-526 6 p.Research output: Contribution to journal › Letter › Research › peer-review
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Spectroscopy of OSSO and Other Sulfur Compounds Thought to be Present in the Venus Atmosphere
Frandsen, B. N., Farahani, S., Vogt, E., Lane, J. R. & Kjærgaard, Henrik Grum, 3 Sep 2020, In: Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory. 124, 35, p. 7047-7059 13 p.Research output: Contribution to journal › Journal article › Research › peer-review
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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
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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
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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
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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. 167-172Research output: Contribution to journal › Journal article › Research › peer-review
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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. 8277-8284Research output: Contribution to journal › Journal article › Research › peer-review
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Gibbs energy of complex formation - combining infrared spectroscopy and vibrational theory
Hansen, A. S., Vogt, E. & Kjærgaard, Henrik Grum, 2019, In: International Reviews in Physical Chemistry. 38, 1, p. 115-148Research output: Contribution to journal › Review › Research › peer-review
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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
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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
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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
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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
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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
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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
ID: 11071974
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The effect of fluorine substitution in alcohol-amine complexes
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Interactions between tetrathiafulvalene units in dimeric structures – the influence of cyclic cores
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Highly Oxygenated Organic Molecules (HOM) from Gas-Phase Autoxidation Involving Peroxy Radicals: A Key Contributor to Atmospheric Aerosol
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