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Department of Chemistry

Publications

The Department of Chemistry is one of the most productive departments at Aarhus University. A considerable number of articles are published every year.

Publications from the Department of Chemistry

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Thomas, S. P., Kumar, V., Alhameedi, K. & Guru Row, T. N. (2019). Non-Classical Synthons: Supramolecular Recognition by S⋅⋅⋅O Chalcogen Bonding in Molecular Complexes of Riluzole. Chemistry - A European Journal, 25(14), 3591-3597. https://doi.org/10.1002/chem.201805131

Thomas, S. P., Grosjean, A., Flematti, G. R., Karton, A., Sobolev, A. N., Edwards, A. J., Piltz, R. O., Iversen, B. B., Koutsantonis, G. A. & Spackman, M. A. (2019). Investigation of an Unusual Crystal Habit of Hydrochlorothiazide Reveals Large Polar Enantiopure Domains and a Possible Crystal Nucleation Mechanism. Angewandte Chemie - International Edition, 58(30), 10255-10259. https://doi.org/10.1002/anie.201905085

Thomas, S. P., Thomas, R., Grønbech, T. B. E., Bondesgaard, M., Mamakhel, A. H., Birkedal, V. & Iversen, B. B. (2021). Bandgap Tuning in Molecular Alloy Crystals Formed by Weak Chalcogen Interactions. Journal of Physical Chemistry Letters, 12(12), 3059-3065. https://doi.org/10.1021/acs.jpclett.1c00614

Thomas, R., Thomas, S. P., Lakhotiya, H., Mamakhel, A. H., Bondesgaard, M., Birkedal, V. & Iversen, B. B. (2021). Tuning of bandgaps and emission properties of light-emitting diode materials through homogeneous alloying in molecular crystals. Chemical Science, 12(37), 12391-12399. https://doi.org/10.1039/d1sc03714e

Thomas, S. P., Dikundwar, A. G., Sarkar, S., Pavan, M. S., Pal, R., Hathwar, V. R. & Row, T. N. G. (2022). The Relevance of Experimental Charge Density Analysis in Unraveling Noncovalent Interactions in Molecular Crystals. Molecules, 27(12), Article 3690. https://doi.org/10.3390/molecules27123690

Thomas, S. P., Worthy, A., Eikeland, E. Z., Thompson, A. J., Grosjean, A., Tolborg, K., Krause, L., Sugimoto, K., Spackman, M. A., McMurtrie, J. C., Clegg, J. K. & Iversen, B. B. (2023). Coordination Sphere Flexibility Leads to Elastic Deformation in a One-Dimensional Coordination Polymer Crystal. Chemistry of Materials, 35(6), 2495-2502. https://doi.org/10.1021/acs.chemmater.2c03625

Thomas, S. P., Singh, A., Grosjean, A., Alhameedi, K., Grønbech, T. B. E., Piltz, R., Edwards, A. J. & Iversen, B. B. (2023). The Ambiguous Origin of Thermochromism in Molecular Crystals of Dichalcogenides: Chalcogen Bonds versus Dynamic Se−Se/Te−Te Bonds. Angewandte Chemie - International Edition, 62(45), Article e202311044. https://doi.org/10.1002/anie.202311044

Thomas, S. P., Iversen, B. B. & Grabowsky, S. (2026). Structure–Function Relationships in Molecular Crystals: A Festschrift to Celebrate Mark A. Spackman. Crystal Growth and Design, 26(5), 1893-1895. https://doi.org/10.1021/acs.cgd.5c00604

Thøgersen, J., Jensen, S. K., Christiansen, O. & Keiding, S. R. (2004). Fast photodynamics of aqueous formic acid. Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, 37(108), 7483-7489.

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, Article 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, Article 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), Article 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), Article 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), Article 809. https://doi.org/10.1038/s42003-023-05183-5

Tesselli, M. & Jensen, F. (2026). A Hessian-Based Interpolation Method for Locating Transition Structures. Journal of Chemical Theory and Computation, 22(15), 7740-7751. https://doi.org/10.1021/acs.jctc.6c00180

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), Article 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), Article 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

Displaying results 601 to 650 out of 5976

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Department of Chemistry