Find

For students
For PhDs
For employees

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 Department of Chemistry

Sort by: Date | Author | Title

Toberer, E. S., Christensen, M., Iversen, B. B. & Snyder, G. J. (2008). High temperature thermoelectric efficiency on Ba₈Ga₁₆Ge₃₀. Physical Review B, 77, 075203-1-8.

Tjelldén, A. K. E., Kristiansen, S. M., Birkedal, H. & Jans, M. M. E. (2018). The pattern of human bone dissolution-A histological study of Iron Age warriors from a Danish wetland site. International Journal of Osteoarchaeology, 28(4), 407-418. https://doi.org/10.1002/oa.2666

Tiszenkel, L., Pedersen, A. N., Vasudevan-Geetha, V., Hopf, M. C., Glasius, M., Elm, J. & Lee, S. H. (2026). Oxygenated Organosulfates Are an Effective Nucleation Precursor in Mixed Biogenic and Anthropogenic Environments. Geophysical Research Letters, 53(1), Article e2025GL117259. https://doi.org/10.1029/2025GL117259

Timco, G. A., Batsanov, A. S., Larsen, F. K., Muryn, C. A., Overgaard, J., Teat, S. J. & Winpenny, R. E. P. (2005). Influencing the nuclearity and constitution of heterometallic rings via templates. Chemical Communications, 29, 3649-3651.

Thorvaldsen, A. J., Ferrighi, L., Ruud, K., Ågren, H., Coriani, S. & Jørgensen, P. (2009). Analytic ab initio calculations of coherent anti-Stokes Raman scattering (CARS). Physical Chemistry Chemical Physics, 11, 2293-2304.

Thorup, P. S., Zeuthen, C. M., Borup, K. A. & Iversen, B. B. (2022). Improving the Operational Stability of Thermoelectric Zn₄Sb₃ by Segmentation. Chemistry of Materials, 34(11), 5206-5214. https://doi.org/10.1021/acs.chemmater.2c00852

Thorup, P. S., Christensen, R. S., Roelsgaard, M. & Iversen, B. B. (2023). Operando X-ray scattering study of segmented thermoelectric Zn₄Sb₃. Journal of Materials Chemistry A, 11(11), 5819-5829. https://doi.org/10.1039/d2ta09948a

Thorup, P. S., Stubkjær, R. B., Huynh, K.-K., Ventrapati, P., Vosegaard, E. S., Borup, A. B. & Iversen, B. B. (2025). Structural origins of ultralow glass-like thermal conductivity in AgGaGe₃Se₈. Science Advances, 11(24), Article eadv5865. https://doi.org/10.1126/sciadv.adv5865

Thorning, F., Jensen, F. & Ogilby, P. R. (2020). Modeling the Effect of Solvents on Nonradiative Singlet Oxygen Deactivation: Going beyond Weak Coupling in Intermolecular Electronic-to-Vibrational Energy Transfer. Journal of Physical Chemistry B, 124(11), 2245-2254. https://doi.org/10.1021/acs.jpcb.0c00807

Thorning, F., Strunge, K., Jensen, F. & Ogilby, P. R. (2021). The complex between molecular oxygen and an organic molecule: modeling optical transitions to the intermolecular charge-transfer state. Physical Chemistry Chemical Physics, 23(28), 15038-15048. https://doi.org/10.1039/D1CP01738A

Thorning, F., Jensen, F. & Ogilby, P. R. (2022). Geometry Dependence of Spin-Orbit Coupling in Complexes of Molecular Oxygen with Atoms, H₂, or Organic Molecules. The Journal of Physical Chemistry A, 126(6), 834-844. https://doi.org/10.1021/acs.jpca.1c09634

Thorning, F., Henke, P. & Ogilby, P. R. (2022). Perturbed and Activated Decay: The Lifetime of Singlet Oxygen in Liquid Organic Solvents. Journal of the American Chemical Society, 144(24), 10902-10911. https://doi.org/10.1021/jacs.2c03444

Thorning, F., Jensen, F. & Ogilby, P. R. (2022). The oxygen–organic molecule photosystem: revisiting the past, recalibrating the present, and redefining the future. Photochemical & Photobiological Sciences, 21(7), 1133-1141. https://doi.org/10.1007/s43630-022-00196-1

Thorhauge, J., Roberson, M., Hazell, R. G. & Jørgensen, K. A. (2002). On the Intermediates in Chiral Bis(oxazoline)copper(II)-Catalyzed Enantioselective Reactions - Experimental and Theoretical Investigations. Chemistry: A European Journal, 8, 1888-1898.

Thorhauge, J., Johannsen, M. & Jørgensen, K. A. (1998). Highly Enantioselective Catalytic Hetero-Diels-Alder Reaction with Inverse Electron Demand. Angewandte Chemie International Edition, 37, 2404.

Thomsen, C. L., Madsen, D., Poulsen, J. A., Rønne, C., Thøgersen, J., Jensen, S. K. & Keiding, S. R. (2001). Femtosecond Photolysis of Aqueous HOCl. Journal of Chemical Physics, 115, 9361-9369.

Thomsen, C. L., Thøgersen, J. & Keiding, S. R. (2001). Vibrational relaxation of aqueous CS2. Journal of Chemical Physics, 114, 4099-4106.

Thomsen, C. L., Thøgersen, J., Madsen, D. & Keiding, S. R. (2003). Photolysis of Aqueous HOCl: Dissipation of fragment kinetic energy. Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, 107, 3606-3611.

Thomsen, B., Hansen, M. B., Seidler, P. & Christiansen, O. (2012). Vibrational absorption spectra from vibrational coupled cluster damped linear response functions calculated using an asymmetric Lanczos algorithm. Journal of Chemical Physics, 136(12), 124101. http://dx.doi.org/10.1063/1.3690065

Thomsen, B., Yagi, K. & Christiansen, O. (2014). A simple state-average procedure determining optimal coordinates for anharmonic vibrational calculations. Chemical Physics Letters, 610-611, 288-297. https://doi.org/10.1016/j.cplett.2014.07.043

Thomsen, B., Yagi, K. & Christiansen, O. (2014). Optimized coordinates in vibrational coupled cluster calculations. Journal of Chemical Physics, 140(15), Article 154102. https://doi.org/10.1063/1.4870775

Thomsen, R. M., Garzón, S. F., Herfort, D., Skibsted, J. & Yue, Y. (2017). Physical performances of alkali-activated portland cement-glass-limestone blends. Journal of the American Ceramic Society, 100(9), 4159-4172. https://doi.org/10.1111/jace.14955

Thomsen, R. M., Skibsted, J. & Yue, Y. (2018). The Charge-Balancing Role of Calcium and Alkali Ions in Per-Alkaline Aluminosilicate Glasses. Journal of Physical Chemistry B, 122(12), 3184-3195. https://doi.org/10.1021/acs.jpcb.7b12437

Thomsen, D., Elm, J., Rosati, B., Skønager, J. T., Bilde, M. & Glasius, M. (2021). Large Discrepancy in the Formation of Secondary Organic Aerosols from Structurally Similar Monoterpenes. ACS Earth and Space Chemistry, 5(3), 632-644. https://doi.org/10.1021/acsearthspacechem.0c00332

Thomsen, D., Thomsen, L. D., Iversen, E. M., Björgvinsdóttir, T. N., Vinther, S. F., Skønager, J. T., Hoffmann, T., Elm, J., Bilde, M. & Glasius, M. (2022). Ozonolysis of α-Pinene and Δ³-Carene Mixtures: Formation of Dimers with Two Precursors. Environmental Science & Technology, 56(23), 16643-16651. https://doi.org/10.1021/acs.est.2c04786

Thomsen, S. R. & Goesten, M. (2024). Symmetry-Shaped Singularities in High-Temperature Superconductor H₃S. Journal of the American Chemical Society, 146(27), 18298-18305. https://doi.org/10.1021/jacs.4c02038

Thomsen, D., Iversen, E. M., Skønager, J. T., Luo, Y., Li, L., Roldin, P., Priestley, M., Pedersen, H. B., Hallquist, M., Ehn, M., Bilde, M. & Glasius, M. (2024). The effect of temperature and relative humidity on secondary organic aerosol formation from ozonolysis of Δ³-carene. Environmental Science: Atmospheres, 4(1), 88-103. https://doi.org/10.1039/D3EA00128H

Thomsen, S. R., Høyer, N. M., Højlund, M. G. & Christiansen, O. (2025). Local Bond-Stretch Coordinates for Anharmonic Vibrational Computations. The journal of physical chemistry. A, 129(15), 3522-3536. https://doi.org/10.1021/acs.jpca.4c07704

Thomsen, R. M., Nie, S., Lothenbach, B., Jensen, L. R., Nielsen, A. H., Skibsted, J. & Yue, Y. (2025). A connection between structure and reactivity in alkali-modified calcium aluminosilicate glasses for sustainable cements. Journal of Non-Crystalline Solids, 665, Article 123606. https://doi.org/10.1016/j.jnoncrysol.2025.123606

Thomassen, A. B., Jansen, T. L. C. & Weidner, T. (2024). The secondary structure of diatom silaffin peptide R5 determined by two-dimensional infrared spectroscopy. Physical Chemistry Chemical Physics, 26(27), 18538-18546. https://doi.org/10.1039/d4cp00970c

Thomas-Hunt, J., Povlsen, A., Vijayan Pillai, H., Knudsen, C. G., H. Gjørup, F. & Christensen, M. (2022). Alignment of strontium hexaferrite, by cold compaction of anisotropic non-magnetically interacting crystallites. Dalton Transactions, 51(10), 3884-3893. https://doi.org/10.1039/D2DT00062H

Thomasen, P. B., Salasova, A., Kjaer-Sorensen, K., Woloszczuková, L., Lavický, J., Login, H., Tranberg-Jensen, J., Almeida, S., Beel, S., Kavková, M., Qvist, P., Kjolby, M., Ovesen, P. L., Nolte, S., Vestergaard, B., Udrea, A.-C., Nejsum, L. N., Chao, M. V., Van Damme, P. ... Nykjaer, A. (2023). SorCS2 binds progranulin to regulate motor neuron development. Cell Reports, 42(11), Article 113333. https://doi.org/10.1016/j.celrep.2023.113333

Thomas, E. F., Søndergaard, A. A., Shepperson, B., Henriksen, N. E. & Stapelfeldt, H. (2018). Hyperfine-Structure-Induced Depolarization of Impulsively Aligned I2 Molecules. Physical Review Letters, 120(16), Article 163202. https://doi.org/10.1103/PhysRevLett.120.163202

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., 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

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., 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., Borowiec, A., Haugen, H. K., McNeill, F. E. & Stronach, I. M. (2001). X-ray emission from femtosecond laser micromachining. Applied Physics A: Materials Science & Processing, 73(3), 361-363. https://www.scopus.com/inward/record.uri?eid=2-s2.0-0034837977&partnerID=40&md5=fb79938eedcdcc51feeb2b33a1118876

Thøgersen, J., Gill, J. D. & Haugen, H. K. (1996). Stepwise multiphoton excitation of the 4f²5d configuration in Nd³⁺: YLF. Optics Communications, 132(1-2), 83-88. https://www.scopus.com/inward/record.uri?eid=2-s2.0-0030283172&partnerID=40&md5=eac3a828f52e12cdff6d00ebe68e8beb

Displaying results 501 to 550 out of 5199

11

Revised 24.09.2025

-

Department of Chemistry