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Institut for Kemi

Publikationer

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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Skov, L. N., Grinderslev, J. B., Kjær, T. S. S., Kristensen, L. R. & Jensen, T. R. (2025). Towards Solid-State Batteries Using a Calcium Hydridoborate Electrolyte. Angewandte Chemie International Edition, 64(15), Artikel e202500613. https://doi.org/10.1002/anie.202500613

Støckler, L. J., Krause, L., Svane, B., Tolborg, K., Richter, B., Takahashi, S., Fujita, T., Kasai, H., Sugahara, M., Inoue, I., Nishibori, E. & Iversen, B. B. (2023). Towards pump-probe single-crystal XFEL refinements for small-unit-cell systems. IUCrJ, 10(Part 1), 103-117. https://doi.org/10.1107/S2052252522011782

Seidler, P., Hansen, M. B. & Christiansen, O. (2008). Towards fast computations of correlated vibrational wave functions: Vibrational coupled cluster response excitation energies at the two-mode coupling level. Journal of Chemical Physics, 128, 154113.

Hinge, M., Pedersen, S. U., Kingshott, P. & Daasbjerg, K. (2009). Towards Durable Surface Coatings. I iNANO Annual Report 2008 (s. 25)

Høst, S., Olsen, J., Jansik, B., Jørgensen, P., Reine, S., Helgaker, T., Salek, P. & Coriani, S. (2007). Towards Black-box Linear Scaling Optimization in Hartree-Fock and Kohn-Sham Theories. Lecture Series on Computer and Computational Sciences, 6, 177-189.

Dippel, A. C., Jensen, K. M. Ø., Tyrsted, C., Bremholm, M., Bøjesen, E. D., Saha, D., Birgisson, S., Christensen, M., Billinge, S. J. L. & Iversen, B. B. (2016). Towards atomistic understanding of polymorphism in the solvothermal synthesis of ZrO₂ nanoparticles. Acta Crystallographica Section A: Foundations of Crystallography, 72(6), 645-650. https://doi.org/10.1107/S2053273316012675

Ozer, B., Karlsen, M. A., Thatcher, Z., Lan, L., McMahon, B., Strickland, P. R., Westrip, S. P., Sang, K. S., Billing, D. G., Ravnsbaek, D. B. & Billinge, S. J. L. (2022). Towards a machine-readable literature: finding relevant papers based on an uploaded powder diffraction pattern. Acta Crystallographica Section A: Foundations and Advances, A78(Part 5), 386-394. https://doi.org/10.1107/S2053273322007483

Jakubauskas, D., Jansen, M., Lyngsø, J., Cheng, Y., Pedersen, J. S. & Cárdenas, M. (2021). Toward reliable low-density lipoprotein ultrastructure prediction in clinical conditions: A small-angle X-ray scattering study on individuals with normal and high triglyceride serum levels. Nanomedicine: Nanotechnology, Biology, and Medicine, 31, Artikel 102318. https://doi.org/10.1016/j.nano.2020.102318

Sharma, J., Chhabra, R., Andersen, C. S., Gothelf, K. V., Yan, H. & Liu, Y. (2008). Toward Reliable Gold Nanoparticle Patterning On Self-Assembled DNA Nanoscaffold. Journal of the American Chemical Society, 130, 7820-7821.

Engsvang, M., Kubečka, J. & Elm, J. (2023). Toward Modeling the Growth of Large Atmospheric Sulfuric Acid-Ammonia Clusters. ACS Omega, 8(38), 34597-34609. https://doi.org/10.1021/acsomega.3c03521

Stern, S., Holmegaard, L., Filsinger, F., Rouzée, A., Rudenko, A., Johnsson, P., Martin, A. V., Barty, A., Bostedt, C., Bozek, J. D., Coffee, R. N., Epp, S., Erk, B., Foucar, L., Hartmann, R., Kimmel, N., Kühnel, K.-U., Maurer, J., Messerschmidt, M. ... Küpper, J. (2014). Toward atomic resolution diffractive imaging of isolated molecules with x-ray free-electron lasers. Faraday Discussions, 171, 393-418. https://doi.org/10.1039/C4FD00028E

Gausas, L., Jackstell, R., Skrydstrup, T. & Beller, M. (2022). Toward a Practical Catalyst for Convenient Deaminative Hydrogenation of Amides under Mild Conditions. ACS Sustainable Chemistry and Engineering, 10(48), 16046-16054. https://doi.org/10.1021/acssuschemeng.2c05802

Andersen, O. J., Grouleff, J., Needham, P., Walker, R. C. & Jensen, F. (2015). Toward an Enhanced Sampling Molecular Dynamics Method for Studying Ligand-Induced Conformational Changes in Proteins. Journal of Physical Chemistry Part B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical, 119(46), 14594-14603. https://doi.org/10.1021/acs.jpcb.5b07816

Elm, J. (2021). Toward a Holistic Understanding of the Formation and Growth of Atmospheric Molecular Clusters: A Quantum Machine Learning Perspective. The Journal of Physical Chemistry A, 125(4), 895-902. https://doi.org/10.1021/acs.jpca.0c09762

Klinting, E. L., Christiansen, O. & König, C. (2020). Toward Accurate Theoretical Vibrational Spectra: A Case Study for Maleimide. The Journal of Physical Chemistry A, 124(13), 2616-2627. https://doi.org/10.1021/acs.jpca.9b11915

Yao, S.-L., Johannsen, M. & Jørgensen, K. A. (1998). Total Synthesis of (R)-Dihydroactinidiolide and (R)-Actinidiolide using Asymmetric Catalytic Hetero-Diels-Alder Methodology. J. Org. Chem., 63, 118.

Poulsen, T. B. (2021). Total Synthesis of Natural Products Containing Enamine or Enol Ether Derivatives. Accounts of Chemical Research, 54(8), 1830-1842. https://doi.org/10.1021/acs.accounts.0c00851

Tsakos, M., Clement, L. L., Schaffert, E. S., Olsen, F. N., Rupiani, S., Djurhuus, R., Yu, W., Jacobsen, K. M., Villadsen, N. L. & Poulsen, T. B. (2016). Total synthesis and biological evaluation of rakicidin A and discovery of a simplified bioactive analogue. Angewandte Chemie International Edition, 55(3), 1030-1035. https://doi.org/10.1002/anie.201509926

Poulsen, T. (2015). Total syntheses of rakicidin A and BE-43547A1. Planta Medica, 81(11), Artikel IL8. https://doi.org/10.1055/s-0035-1556105

Paulsen, T. T., Kiib, A. E., Wørmer, G. J., Hacker, S. M. & Poulsen, T. B. (2025). Total syntheses of cyclohelminthol I-IV reveal a new cysteine-selective covalent reactive group. Chemical Science, 16(9), 3916-3927. https://doi.org/10.1039/d4sc08667h

Dnestryan, A. I., Tolstikhin, O. I., Jensen, F. & Madsen, L. B. (2019). Torsional effects in strong-field ionization of molecules. Physical Review Research , 1(2), Artikel 023018. https://doi.org/10.1103/PhysRevResearch.1.023018

Johansson, M. P. & Olsen, J. (2008). Torsional Barriers and Equilibrium Angle of Biphenyl: Reconciling Theory with Experiment. Journal of Chemical Theory and Computation, 4, 1460-1471. https://doi.org/10.1021/ct800182e

Jasinska-Walc, L., Hansen, M. R., Dudenko, D., Rozanski, A., Bouyahyi, M., Wagner, M., Graf, R. & Duchateau, R. (2014). Topological behavior mimicking ethylene-hexene copolymers using branched lactones and macrolactones. Polymer Chemistry, 5(10), 3306-3310. https://doi.org/10.1039/c3py01754k

Chen, Y., Lurie, A., Wu, K., Nam, K., Garcia, S. N., Dempsey, N. W. M., Svenningsen, E. B., Tørring, T., Poulsen, T. B., Ordureau, A. & Park, E. (2026). Topogenic sequence recognition at TIM complexes revealed by a stendomycin-bound structure. Nature Chemical Biology. Advance online publication. https://doi.org/10.1038/s41589-026-02304-z

Kryger, M. B. L., Pedersen, S. L., Wohl, B. M. & Zelikin, A. N. (2016). Tools of gene transfer applied to the intracellular delivery of non-nucleic acid polyanionic drugs. Chemical Communications, 52(5), 889-891. https://doi.org/10.1039/c5cc08011h

Nguyen, T. J. D., Manuguerra, I., Kumar, V. & Gothelf, K. V. (2019). Toehold-Mediated Strand Displacement in a Triplex Forming Nucleic Acid Clamp for Reversible Regulation of Polymerase Activity and Protein Expression. Chemistry - A European Journal, 25(53), 12303-12307. https://doi.org/10.1002/chem.201903496

Drits, V. A., Lindgreen, H., Sakharov, B. A., Jakobsen, H. J., Salyn, A. L. & Dainyak, L. G. (2002). Tobelitization of smectite during oil generation in oil-source shales. Application to North Sea illite-tobelite-smectite-vermiculite. Clays and Clay Minerals, 50, 82-98.

Johnsen, S., Peter, S. C., Nguyen, S. L., Song, J.-H., Jin, H., Freeman, A. J. & Kanatzidis, M. G. (2011). Tl₂Hg₃Q₄ (Q = S, Se, and Te): High-Density, Wide-Band-Gap Semiconductors. Chemistry of Materials, 23(19), 4375-4383. https://doi.org/10.1021/cm2019857

Glasius, M. (2006). Tjærestoffer i luft. I U. Karlson (red.), Tjærestoffer (1. udg., s. 1-82). Hovedland.

Gurzęda, B., Boulanger, N., Li, G., Jørgensen, M. R. V., Kantor, I., Baburin, I., Petre, M., Enachescu, M. & Talyzin, A. V. (2026). Titanium Carbide MXene Synthesis by Etching of Titanium Aluminum Carbide in Acetic Acid Solution. Small, 22(26), Artikel e14731. https://doi.org/10.1002/smll.202514731

Nygaard, I., Mortensen, K. E., Hedegaard, J., Conley, L., Bendixen, C., Sveinbjørnsson, B. & Revhaug, A. (2015). Tissue Remodelling following Resection of Porcine Liver. BioMed Research International, Artikel PMID: 26240819. https://doi.org/10.1155%2F2015%2F248920

Sondergaard, M., Shen, Y., Mamakhel, M. A. H., Marinaro, M., Wohlfahrt-Mehrens, M., Wonsyld, K., Dahl, S. & Iversen, B. B. (2015). TiO₂ Nanoparticles for Li-Ion Battery Anodes: Mitigation of Growth and Irreversible Capacity Using LiOH and NaOH. Chemistry of Materials, 27(1), 119-126. https://doi.org/10.1021/cm503479h

Tolborg, S., Meier, S., Sádaba, I., Elliot, S. G., Kristensen, S. K., Saravanamurugan, S., Riisager, A., Fristrup, P., Skrydstrup, T. & Taarning, E. (2016). Tin-containing silicates: Identification of a glycolytic pathway via 3-deoxyglucosone. Green Chemistry, 18(11), 3360-3369. https://doi.org/10.1039/c5gc02840j

Britz, D. (1998). Time shift artifacts and start-up protocols with the BDF method in electrochemical digital simulation. Computers & Chemistry, 22, 237-243.

Keidel, R., Ghavami, A., Lugo, D. M., Lotze, G., Virtanen, O., Beumers, P., Pedersen, J. S., Bardow, A., Winkler, R. G. & Richtering, W. (2018). Time-resolved structural evolution during the collapse of responsive hydrogels: The microgel-to-particle transition. Science Advances, 4(4), Artikel eaao7086. https://doi.org/10.1126/sciadv.aao7086

Christensen, J. K., Albrechtsen, S. H., Petersen, C. E., Schouder, C. A., Sánchez-Pérez, I., Carchi-Villalta, P. J., Bartolomei, M., Pirani, F., González-Lezana, T. & Stapelfeldt, H. (2025). Time-resolved solvation dynamics of Li⁺, Na⁺ and K⁺ ions in liquid helium nanodroplets. Physical Chemistry Chemical Physics, 27(45), 24184-24194. https://doi.org/10.1039/d5cp03894d

Hatz, S., Poulsen, L. & Ogilby, P. R. (2008). Time-Resolved Singlet Oxygen Phosphorescence Measurements from Photosensitized Experiments in Single Cells: The Effects of Oxygen Diffusion and Oxygen Concentration. Photochemistry and Photobiology, 84, 1284-1290.

Ogilby, P. R., Andersen, L. K., Dam, N., Frederiksen, P. K., Jørgensen, M. & Poulsen, L. (2001). Time-Resolved Singlet Oxygen Microscopes: Monitoring a Key Degradation Intermediate with Spatial Resolution. Polymer Preprints, 42, 407-408.

Hansen, J. L., Stapelfeldt, H., Dimitrovski, D., Abu-Samha, M., Martiny, C. P. J. & Madsen, L. B. (2011). Time-Resolved Photoelectron Angular Distributions from Strong-Field Ionization of Rotating Naphthalene Molecules. Physical Review Letters, 106(7), 073001. https://doi.org/10.1103/PhysRevLett.106.073001

Benedict, J. B., Makal, A., Sokolow, J. D., Trzop, E., Scheins, S., Henning, R., Graber, T. & Coppens, P. (2011). Time-resolved Laue diffraction of excited species at atomic resolution: 100 ps single-pulse diffraction of the excited state of the organometallic complex Rh(2)(mu-PNP)(2)(PNP)(2)center dot BPh(4). Chemical Communications, 47(6), 1704-1706. https://doi.org/10.1039/c0cc04997b

Bremholm, M., Felicissimo, M. & Iversen, B. B. (2009). Time-Resolved In Situ Synchrotron X-ray Study and Large-Scale Production of Magnetite Nanoparticles in Supercritical Water. Angewandte Chemie International Edition, 48, 4788-4791.

Riello, P., Mattiazzi, M., Pedersen, J. S. & Benedetti, A. (2008). Time-resolved in situ small-angle X-ray scattering study of silica particle formation in nonionic water-in-oil microemulsions. Langmuir, 24, 5225-5228.

Roelsgaard, M., Dippel, A.-C., Borup, K., Nielsen, I. G., Broge, N. L. N., Röh, J. T., Gutowski, O. & Iversen, B. B. (2019). Time-resolved grazing-incidence pair distribution functions during deposition by radio-frequency magnetron sputtering. IUCrJ, 6(2), 299-304. https://doi.org/10.1107/S2052252519001192

Andersen, L. K. & Ogilby, P. R. (2001). Time-Resolved Detection of Singlet Oxygen in a Transmission Microscope. Photochemistry and Photobiology, 73, 489-492.

Jyde, N. K., Kristensen, H. H., Kranabetter, L., Christensen, J. K., Hansen, E., Carlsen, M. B. & Stapelfeldt, H. (2024). Time-resolved Coulomb explosion imaging of vibrational wave packets in alkali dimers on helium nanodroplets. The Journal of Chemical Physics, 161(22), Artikel 224301. https://doi.org/10.1063/5.0239196

Pedersen, B. L., Birkedal, H., Nishibori, E., Sakata, M. & Iversen, B. B. (2006). Time Induced Changes in Phase Transition Behavior and Stability of Zn₄Sb₃. I R. Ellingson (red.), Materials and Basic Research Needs for Solar Energy Conversion (Bind 945E, s. 0945-FF07-05). Mater. Res. Soc. Symp. Proc..

Madsen, N. K. K., Hansen, M. B., Christiansen, O. & Zoccante, A. (2020). Time-dependent vibrational coupled cluster with variationally optimized time-dependent basis sets. Journal of Chemical Physics, 153(17), Artikel 174108. https://doi.org/10.1063/5.0024428

Højlund, M. G., Zoccante, A., Jensen, A. B. & Christiansen, O. (2025). Time-Dependent Vibrational Coupled Cluster Theory With Static and Dynamic Basis Functions. Wiley Interdisciplinary Reviews: Computational Molecular Science, 15(1), Artikel e70001. https://doi.org/10.1002/wcms.70001

Hansen, M. B., Madsen, N. K., Zoccante, A. & Christiansen, O. (2019). Time-dependent vibrational coupled cluster theory: Theory and implementation at the two-mode coupling level. The Journal of Chemical Physics, 151(15), Artikel 154116. https://doi.org/10.1063/1.5117207

Lopez-Yepez, J. S., Barta, A., Martin, J., Moltesen, M., Woo, T. F., Hulme, O., Demir, E. & Kvitsiani, D. (2026). Time-dependent deployment of medial prefrontal cortical representations in male mice. Nature Communications, 17(1), Artikel 1473. https://doi.org/10.1038/s41467-025-68215-0

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Institut for Kemi