Institut for Kemi

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Institut for Kemi er et af de mest produktive institutter på Aarhus Universitet. Der udgives et væld af artikler i videnskabelige tidsskrifter, som du finder herunder.

Publikationer fra Institut for Kemi

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Thøgersen, L. & Olsen, J. (2004). A coupled cluster and full configuration interaction study of CN and CN-. Chemical Physics Letters, 393, 36-43.
Thøgersen, L. & Olsen, J. (2004). A coupled cluster and full configuration interaction study of CN and CN-. Chemical Physics Letters, 393, 36-43.
Thøgersen, L., Olsen, J., Yeager, D., Jørgensen, P., Salek, P. & Helgaker, T. (2004). The trust-region self-consistent field method: Towards a black-box optimization in Hartree-Fock and Kohn-Sham theories. Journal of Chemical Physics, 121, 16-27.
Thøgersen, L., Olsen, J., Köhn, A., Jørgensen, P., Salek, P. & Helgaker, T. (2005). The trust-region self-consistent field method in Kohn-Sham density-functional theory. Journal of Chemical Physics, 123, 074103-1-17.
Thøgersen, L., Schiøtt, B., Vosegaard, T., Nielsen, N. C. & Tajkhorshid, E. (2008). Peptide Aggregation and Pore Formation in a Lipid Bilayer: A Combined Coarse-Grained and All Atom Molecular Dynamics Study. Biophysical Journal, 95(9), 4337-4347. https://doi.org/10.1529/biophysj.108.133330
Thøgersen, J., Jensen, S. K., Petersen, C. & Keiding, S. R. (2008). Reorientation of OH¯ in Water. Chemical Physics Letters, 466, 1-5.
Thøgersen, J., Gadegaard, A., Nielsen, J. B., Jensen, S. K., Petersen, C. & Keiding, S. R. (2009). Primary Formation Dynamics of Peroxynitrite Following Photolysis of Nitrate. Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, 113(39), 10488-10494. https://doi.org/10.1021/jp906354c
Thøgersen, H., Nielsen, N. C. & Sørensen, O. W. (1996). A systematic strategy for design of optimum coherent experiments applied to efficient interconversion of double- and single-quantum coherencesin nuclear magnetic resonance. Journal of Chemical Physics, 105, 3962-3968.
Thøgersen, J., Réhault, J., Odelius, M., Ogden, T., Jena, N. K., Jensen, S. K., Keiding, S. R. & Helbing, J. (2013). Hydration Dynamics of Aqueous Nitrate. Journal of Physical Chemistry Part B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical, 117(12), 3376-3388. https://doi.org/10.1021/jp310090u
Thøgersen, J., Nielsen, J. B., Jensen, S. K., Keiding, S. R., Odelius, M., Ogden, T., Réhault, J. & Helbing, J. (2013). The rotation of NO3− as a probe of molecular ion - water interactions. E P J Web of Conferences, 41, Artikel 06002. https://doi.org/10.1051/epjconf/20134106002
Thøgersen, J., Kissner, R., Nauser, T., Koppenol, W. H., Richter, B., Jensen, F., Keiding, S. R. & Jensen, S. K. (2015). Primary photochemistry of peroxynitrite in aqueous solution. Chemical Physics Letters, 641, 187-192. https://doi.org/10.1016/j.cplett.2015.10.056
Thøgersen, J., Coletta, A., Keiding, S. R., Jensen, F., Jones, N. C., Hoffmann, S. V. & Jensen, S. K. (2017). Protonation of Aqueous Alanine by Photoionization of Water. Physical Chemistry Chemical Physics, 19(2), 1560-1570. https://doi.org/10.1039/C6CP07235F
Thøgersen, J., Bak, E. N., Finster, K., Nørnberg, P., Jakobsen, H. J. & Knak Jensen, S. J. (2019). Light on windy nights on Mars: A study of saltation-mediated ionization of argon in a Mars-like atmosphere. Icarus, 332, 14-18. https://doi.org/10.1016/j.icarus.2019.06.025
Thøgersen, J., Vaida, V., Bregnhøj, M., Weidner, T. & Jensen, F. (2021). The primary photo-dissociation dynamics of lactate in aqueous solution: decarboxylation prevents dehydroxylation. Physical Chemistry Chemical Physics, 23(8), 4555-4568. https://doi.org/10.1039/d0cp05650b
Thøgersen, J., Weidner, T. & Jensen, F. (2021). The primary photolysis dynamics of oxalate in aqueous solution: decarboxylation. Physical Chemistry Chemical Physics, 23(16), 10040-10050. https://doi.org/10.1039/d1cp00205h
Thøgersen, J., Nørnberg, P., Finster, K. & Knak Jensen, S. J. (2021). Greenhouse gas capture by triboelectric charging. Chemical Physics Letters, 783, Artikel 139069. https://doi.org/10.1016/j.cplett.2021.139069
Thøgersen, J., Weidner, T. & Jensen, F. (2022). The primary photo-dissociation dynamics of lactic acid: decarboxylation as CO2 and CO2˙−†. Physical Chemistry Chemical Physics, 24(11), 6880-6889. https://doi.org/10.1039/d1cp05563a
Thøgersen, J., Weidner, T. & Jensen, F. (2022). The primary photo-dissociation dynamics of aqueous formamide and dimethylformamide. Physical Chemistry Chemical Physics, 24(40), 24695-24705. https://doi.org/10.1039/d2cp03166c
Thøgersen, J., Chatterley, A. S., Weidner, T. & Jensen, F. (2023). Peptide Bond of Aqueous Dipeptides Is Resilient to Deep Ultraviolet Irradiation. Journal of the American Chemical Society, 145(17), 9777–9785. https://doi.org/10.1021/jacs.3c01469
Thøgersen, J., Weidner, T. & Jensen, F. (2023). The primary photolysis of aqueous carbonate di-anions. Physical Chemistry Chemical Physics, 25(20), 14104-14116. https://doi.org/10.1039/d3cp00236e
Thøgersen, J., Madzharova, F., Weidner, T. & Jensen, F. (2024). Aqueous pyruvate partly dissociates under deep ultraviolet irradiation but is resilient to near ultraviolet excitation. Nature Communications, 15(1), Artikel 1978. https://doi.org/10.1038/s41467-024-46309-5, https://doi.org/10.1038/s41467-024-46309-5
Thøgersen, J., Madzharova, F., Weidner, T. & Jensen, F. (2024). Deep-Ultraviolet Photoexcitation of Aqueous Urea Forms Carbamic Acid/Carbamate in Less Than One Picosecond. Chemistry - A European Journal, 30(39), Artikel e202400728. https://doi.org/10.1002/chem.202400728
Thøgersen, J., Mishra, A., Weidner, T. & Jensen, F. (2025). The primary photolysis of aqueous acrylate. Physical Chemistry Chemical Physics, 27(39), 21297-21306. https://doi.org/10.1039/d5cp03023d
Thøgersen, J., Bregnhøj, M., Weidner, T. & Jensen, F. (2026). The primary deep-UV photochemistry of aqueous fumarate and maleate. Physical Chemistry Chemical Physics, 28(4), 2965-2975. https://doi.org/10.1039/d5cp03064a
Thøgersen, J., Weidner, T. & Jensen, F. (2026). The primary near-UV photochemistry of aqueous pyruvic acid. Physical Chemistry Chemical Physics, 28(13), 7830-7834. https://doi.org/10.1039/d5cp04995d
Thogersen, J., Madsen, E. S. Y., Holmegaard, L., Knak Jensen, S., Keiding, S. R., Matsuura, Y. & Miyagi, M. (2005). Characterization of Ultraviolet Femtosecond Pulse Propagation in Aluminum Coated Capillary Fibers. Journal of Applied Physics, 98, 33519-1 - 33519-5.
Thiel, A. M., Damgaard-Møller, E. & Overgaard, J. (2020). High-Pressure Crystallography as a Guide in the Design of Single-Molecule Magnets. Inorganic Chemistry, 59(3), 1682-1691. https://doi.org/10.1021/acs.inorgchem.9b02794
Thiangviriya, S., Plerdsranoy, P., Wiset, N., Javadian, P., Jensen, T. R. & Utke, R. (2015). Hydrogen sorption and reaction mechanisms of nanoconfined 2LiBH4-NaAlH4. Journal of Alloys and Compounds, 633, 484-493. https://doi.org/10.1016/j.jallcom.2015.02.030
Thaysen-Andersen, M., Thøgersen, I., Nielsen, HJ., Lademann, U., Brunner, N., Enghild, J. J. & Højrup, P. (2007). Rapid and individual-specific glycoprofiling of a low- abundant N-glycosylated protein tissue inhibitor of metalloproteinases-1. Mol. Cell. Proteomics.
Thaysen-Andersen, M., Thøgersen, I., Lademann, U., Offenberg, H., Enghild, J. J., Nielsen, HJ., Giessing, AM., Brünner, N. & Højrup, P. (2008). Investigating the biomarker potential of glycoproteins using comparative glycoprofiling - application to tissue inhibitor of metalloproteinases-1. BBA General Subjects, 3(1784).
Thatcher, Z., Liu, C. H., Yang, L., McBride, B. C., Thinh Tran, G., Wustrow, A., Karlsen, M. A., Neilson, J. R., Ravnsbæk, D. B. & Billinge, S. J. L. (2022). nmfMapping: a cloud-based web application for non-negative matrix factorization of powder diffraction and pair distribution function datasets. Acta Crystallographica Section A: Foundations and Advances, 78, 242-248. https://doi.org/10.1107/S2053273322002522
Tesson, S. V. M., Barbato, M. & Rosati, B. (2023). Aerosolization flux, bio-products, and dispersal capacities in the freshwater microalga Limnomonas gaiensis (Chlorophyceae). Communications Biology, 6(1), Artikel 809. https://doi.org/10.1038/s42003-023-05183-5
Teschome, B., Facsko, S., Gothelf, K. V. & Keller, A. (2015). Alignment of gold nanoparticle-decorated DNA origami nanoutubes substrate prepatterning vs. molecular combing. Langmuir, 31(46), 12823-12829. https://doi.org/10.1021/acs.langmuir.5b02569
Teodori, L., Omer, M., Märcher, A., Skaanning, M. K., Andersen, V. L., Nielsen, J. S., Oldenburg, E., Lin, Y., Gothelf, K. V. & Kjems, J. (2022). Site-specific nanobody-oligonucleotide conjugation for super-resolution imaging. Journal of Biological Methods, 9(1), Artikel e159. https://doi.org/10.14440/jbm.2022.381
Teodori, L., Kroer, S., Omer, M., Andersen, V. L., Bech, P., Su, J., Bridoux, J., Nielsen, J. S., Bertelsen, M. B., Hernot, S., Gothelf, K. V. & Kjems, J. (2024). Plug-and-play nucleic acid-mediated multimerization of biparatopic nanobodies for molecular imaging. Molecular Therapy - Nucleic Acids, 35(3), Artikel 102305. https://doi.org/10.1016/j.omtn.2024.102305
Teng, Z., Skønager, J. T., Massling, A., Skov, H., Evangeliou, N., Eckhardt, S., Bilde, M. & Rosati, B. (2026). Characterizing aerosol sources based on aerosol optical properties and dispersion modelling in a Scandinavian Coastal Area (Aarhus, Denmark). Aerosol Research, 4(1), 169-187. https://doi.org/10.5194/ar-4-169-2026
Teixeira, L. M. C., Paiva, P., Johansen, M. B., Sommerfeldt, A., Petersen, A. R., Rotilio, L., Sandahl, A., Morth, J. P., Westh, P., Otzen, D. E., Fernandes, P. A. & Ramos, M. J. (2025). Hydrolysis of the Urethane Bond Catalyzed by Pseudomonas sp. MIS38 Lipase: A QM/MM Mechanistic Insight. ACS Catalysis, 15, 14728-14740. https://doi.org/10.1021/acscatal.5c03228
Teiwes, R., Elm, J., Handrup, K., Jensen, E. P., Bilde, M. & Pedersen, H. B. (2018). Atmospheric chemistry of iodine anions: Elementary reactions of I-, IO-, and IO2 - with ozone studied in the gas-phase at 300 K using an ion trap. Physical Chemistry Chemical Physics, 20(45), 28606-28615. https://doi.org/10.1039/c8cp05721d
Teiwes, R., Elm, J., Bilde, M. & Pedersen, H. B. (2019). The reaction of hydrated iodide I(H2O)- with ozone: a new route to IO2− products. Physical Chemistry Chemical Physics, 21(32), 17546-17554. https://doi.org/10.1039/C9CP01734H
Teiwes, R., Elm, J., Bilde, M. & Pedersen, H. B. (2019). Reply to the 'Comment on "Atmospheric chemistry of iodine anions: elementary reactions of I-, IO-, and IO-2 with ozone studied in the gas-phase at 300 K using an ion trap"' by D. Britz, Phys. Chem. Chem. Phys., 2019, 21, C9CP03851E. Physical Chemistry Chemical Physics, 21(40), 22656-22656. https://doi.org/10.1039/c9cp05104j
Tehlar, A., Casanova, J. T., Dnestryan, A. I., Jensen, F., Madsen, L. B., Tolstikhin, O. I. & Wörner, H. J. (2024). High-harmonic spectroscopy of impulsively aligned 1,3-cyclohexadiene: Signatures of attosecond charge migration. Structural Dynamics, 11(1), Artikel 014304. https://doi.org/10.1063/4.0000227
Teale, A. M., Coriani, S. & Helgaker, T. (2010). Range-dependent adiabatic connections. Journal of Chemical Physics, 132, 164112.
Teale, A. M., Coriani, S. & Helgaker, T. (2010). Accurate calculation and modeling of the adiabatic connection in density functional theory. Journal of Chemical Physics, 132, 164115 .
Taylor, P. R. (2017). Reflections on the MOLECULE integral program (and its developer). Molecular Physics, 115(17-18), 2043-2047. https://doi.org/10.1080/00268976.2017.1290844
Tao, K., Jensen, I. T., Zhang, S., Villa-Rodríguez, E., Blahovska, Z., Salomonsen, C. L., Martyn, A., Björgvinsdóttir, Þ. N., Kelly, S., Janss, L., Glasius, M., Waagepetersen, R. & Radutoiu, S. (2024). Nitrogen and Nod factor signaling determine Lotus japonicus root exudate composition and bacterial assembly. Nature Communications, 15(1), Artikel 3436. https://doi.org/10.1038/s41467-024-47752-0
Tantardini, C., Ceresoli, D. & Benassi, E. (2016). Source function and plane waves: Toward complete bader analysis. Journal of Computational Chemistry, 37(23), 2133-2139. https://doi.org/10.1002/jcc.24433
Tang, T.-H., Deretey, E., Jensen, S. K. & Csizmadia, I. G. (2006). Hydrogen bonds: relation between lengths and electron densities at bond critical points. The European Physical Journal D: Atomic, Molecular, Optical and Plasma Physics, 37, 217-222.
Tang, H., Wang, Z., Mamakhel, M. A. H., Dong, M. & Christensen, M. (2020). Combustion assisted preparation of high coercivity Sm–Co hard magnet with stable single-domain size. Journal of Alloys and Compounds, 816, Artikel 152527. https://doi.org/10.1016/j.jallcom.2019.152527
Tang, H., Mamakhel, M. A. H. & Christensen, M. (2020). Enhancing the coercivity of SmCo5 magnet through particle size control. Journal of Materials Chemistry C, 8(6), 2109-2116. https://doi.org/10.1039/C9TC06137A
Tang, H., Mamakhel, M. A. H. & Christensen, M. (2021). High coercivity SmCo5 synthesized with assistance of colloidal SiO2. Scientific Reports, 11, Artikel 4682. https://doi.org/10.1038/s41598-021-83826-5

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