Publikationer

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Publikationer fra Institut for Kemi

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Clement, L. L., Tsakos, M., Schaffert, E. S., Scavenius, C., Enghild, J. J. & Poulsen, T. B. (2015). The amido-pentadienoate-functionality of the rakicidins is a thiol reactive electrophile: development of a general synthetic strategy. Chemical Communications, 51(62), 12427-12430. https://doi.org/10.1039/c5cc04500b

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), Artikel e202311044. https://doi.org/10.1002/anie.202311044

Grabowsky, S., Genoni, A., Thomas, S. P. & Jayatilaka, D. (2020). The advent of quantum crystallography: Form and structure factors from quantum mechanics for advanced structure refinement and wavefunction fitting. I 21st Century Challenges in Chemical Crystallography II (s. 65-144). Springer. https://doi.org/10.1007/430_2020_62

Dolatshahi-Pirouz, A., Kolman, N. B., Arpanaei, A., Foss, M., Chevallier, J., Kingshott, P., Baas, J., Søballe, K. & Besenbacher, F. (2011). The adsorption characteristics of osteopontin on hydroxyapatite and gold. Materials Science and Engineering C, 31(3), 514-522. https://doi.org/10.1016/j.msec.2010.10.011

Bak, K. L., Gauss, J., Jørgensen, P., Olsen, J., Helgaker, T. & Stanton, J. F. (2001). The Accurate Determination of Molecular Equlibrium Structures. Journal of Chemical Physics, 114, 6548-6556.

Bak, K. L., Gauss, J., Helgaker, T., Jørgensen, P. & Olsen, J. (2000). The accuracy of molecular dipole moments in standard electronic structure calculations. Chemical Physics Letters, 319(5-6), 563-568. https://doi.org/10.1016/S0009-2614(00)00198-6

Kaminsky, J., Jensen, F., Mata, R. A. & Werner, H.-J. (2008). The Accuracy of Local MP2 Methods for Conformational Energies. Molecular Physics, (106), 1899-1906. https://doi.org/10.1080/00268970802360355

Coriani, S., Marchesan, D., Gauss, J., Hättig, C., Helgaker, T. & Jørgensen, P. (2005). The accuracy of ab initio molecular geometries for systems containing second-row atoms. Journal of Chemical Physics, 123, 184107-1-12.

Kristensen, K., N. Jensen, L., L. J. Quéléver, L., Christiansen, S., Rosati, B., Elm, J., Teiwes, R., B. Pedersen, H., Glasius, M., Ehn, M. & Bilde, M. (2020). The Aarhus Chamber Campaign on Highly Oxygenated Organic Molecules and Aerosols (ACCHA): Particle formation, organic acids, and dimer esters from α-pinene ozonolysis at different temperatures. Atmospheric Chemistry and Physics, 20(21), 12549-12567. https://doi.org/10.5194/acp-20-12549-2020

Wormer, G. J. & Poulsen, T. B. (2021). The [4.3.0] Piperidine Alkaloids: Architectures, Biology, Biosyntheses, and the Complete Details of the Asymmetric Syntheses of Streptazone A and Abikoviromycin. Synlett, 32(7), 637-654. https://doi.org/10.1055/a-1688-0826

Johansson, M. P., Lechtken, A., Schooss, D., Kappes, M. M. & Furche, F. (2008). The 2D–3D Transition of Gold Cluster Anions Resolved. Physical Review A, 77, 053202/1–7. https://doi.org/10.1103/PhysRevA.77.053202

Knudsen, C. G., Mørch, M. I. & Christensen, M. (2023). Texture formation in W-type hexaferrite by cold compaction of non-magnetic interacting anisotropic shaped precursor crystallites. Dalton Transactions, 52(2), 281-289. https://doi.org/10.1039/d2dt02091b

Becher, J., Brimert, T., Jeppesen, J. O., Pedersen, J. Z., Zubarev, R., Bjørnholm, T., Reitzel, N., Jensen, T. R., Kjaer, K. & Levillain, E. (2001). Tetrathiafulvaleno-Annelated Prophyrins. Angewandte Chemie International Edition, 40(13), 2497-2500.

Overgaard, J., Timco, G. A. & Larsen, F. K. (2008). Tetrakis(μ-pivalato-κ²O:O')bis[(2-methylpyridine-κN)iron(II)](Fe-Fe). Acta Crystallographica Section E: Structure Reports Online, 64(3), 497-497. https://doi.org/10.1107/S1600536808005102

Matschei, T., Braymand, S., Garg, N., Huet, B., Jansen, D., Myers, R. J., Scruggs, B., Bernard, E., Bertola, J., Cazacliu, B., Ellwood, L., Felten, C., Ferrara, G., Garboczi, E., Gholizadeh Vayghan, A., Hafez, H., Hanein, T., Kanavaris, F., Mahoutian, M. ... Suraneni, P. (2026). Test methods for CO₂ mineralization in cement-based materials: A review by RILEM TC 309-MCP. Materials and Structures/Materiaux et Constructions, 59(4), Artikel 175. https://doi.org/10.1617/s11527-026-03064-x

Schiøtt, B., Overgaard, J., Larsen, F. K. & Iversen, B. B. (2004). Testing Theory Beyond Molecular Structure: Electron Density Distributions of Complex Molecules. Int. J. Qantum. Chem., 96.

Schmøkel, M. S., Cenedese, S., Overgaard, J., Jørgensen, M. R. V., Chen, Y.-S., Gatti, C., Stalke, D. & Iversen, B. B. (2012). Testing the Concept of Hypervalency: Charge Density Analysis of K₂SO₄. Inorganic Chemistry, 51(15), 8607-8616. https://doi.org/10.1021/ic301372m

Johansen, M. B., Donslund, B. S., Kristensen, S. K., Lindhardt, A. T. & Skrydstrup, T. (2022). Tert-Amyl Alcohol-Mediated Deconstruction of Polyurethane for Polyol and Aniline Recovery. ACS Sustainable Chemistry and Engineering, 10(34), 11191-11202. https://doi.org/10.1021/acssuschemeng.2c02797

Nielsen, M. B., Xie, W. & Cava, R. J. (2016). Ternary rare earth silicides RE₂M₃Si₄ (RE = Sc, Y, Lu; M = Mo, W): crystal structure, coloring and electronic properties . Dalton Transactions, 45(9), 3771-3777. https://doi.org/10.1039/C5DT03976B

Babizhetskyy, V., Myakush, O., Kotur, B., Zheng, C., Smetana, V. & Mudring, A. V. (2024). Ternary gallide Zr₇Pd_7–xGa_3+x (0 ≤ x ≤ 1.8): Synthesis, crystal and electronic structures. Journal of Solid State Chemistry, 340, Artikel 125034. https://doi.org/10.1016/j.jssc.2024.125034

Korablov, D., Besenbacher, F. & Jensen, T. R. (2014). Ternary compounds in the magnesium-titanium hydrogen storage system. International Journal of Hydrogen Energy, 39(18), 9700-9708. https://doi.org/10.1016/j.ijhydene.2014.03.141

Iversen, B. B., Becker, J. & Borup, K. (2014). Termoelektriske materialer. Aktuel Naturvidenskab, (1), 16-21.

Ruckhofer, A., Campi, D., Bremholm, M., Hofmann, P., Benedek, G., Bernasconi, M., Ernst, W. E. & Tamtögl, A. (2020). Terahertz surface modes and electron-phonon coupling on Bi₂Se₃(111). Physical Review Research , 2(2), Artikel 023186. https://doi.org/10.1103/PhysRevResearch.2.023186

Godtliebsen, I. H., Hansen, M. B. & Christiansen, O. (2015). Tensor decomposition techniques in the solution of vibrational coupled cluster response theory eigenvalue equations. Journal of Chemical Physics, 142(2), Artikel 024105. https://doi.org/10.1063/1.4905160

Godtliebsen, I. H., Thomsen, B. & Christiansen, O. (2013). Tensor Decomposition and Vibrational Coupled Cluster Theory. Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, 117(32), 7267-7279. https://doi.org/10.1021/jp401153q

Madsen, N. K., Godtliebsen, I. H., Losilla, S. A. & Christiansen, O. (2018). Tensor-decomposed vibrational coupled-cluster theory: Enabling large-scale, highly accurate vibrational-structure calculations. Journal of Chemical Physics, 148(2), 024103. Artikel 024103. https://doi.org/10.1063/1.5001569

Dong, MD., Xu, S., Bünger, H., Birkedal, H. & Besenbacher, F. (2007). Temporal Assembly of Collagen Type II Studied by Atomic Force Microscopy. Advanced Engineering Materials, 9(12), 1129-1133.

Rosen, C. B., Kodal, A. L. B., Nielsen, J. S., Schaffert, D. H., Scavenius, C., Okholm, A. H., Voigt, N. V., Enghild, J. J., Kjems, J., Tørring, T. & Gothelf, K. V. (2014). Template-directed covalent conjugation of DNA to native antibodies, transferrin and other metal-binding proteins. Nature Chemistry, 6(9), 804-809. https://doi.org/10.1038/nchem.2003

Westberg, M., Bregnhøj, M., Etzerodt, M. & Ogilby, P. R. (2017). Temperature Sensitive Singlet Oxygen Photosensitization by LOV-Derived Fluorescent Flavoproteins. Journal of Physical Chemistry Part B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical, 121(12), 2561-2574. https://doi.org/10.1021/acs.jpcb.7b00561

Berndt, I., Pedersen, J. S. & Richtering, W. (2006). Temperature-Sensitive Core-Shell Microgel Particles with Dense Shell. Angewandte Chemie International Edition, 45, 1737-1741.

Keerl, M., Pedersen, J. S. & Richtering, W. (2009). Temperature Sensitive Copolymer Microgels with Nanophase Separated Structure. Journal of the American Chemical Society, 3093-3097.

Ogaki, R., Andersen, O. Z., Jensen, G. V., Kolind, K., Kraft, D. C. E., Pedersen, J. S. & Foss, M. (2012). Temperature-induced ultradense PEG polyelectrolyte surface grafting provides effective long-term bioresistance against mammalian cells, serum, and whole blood. Biomacromolecules, 13(11), 3668-3677. https://doi.org/10.1021/bm301125g

Tacconi, L., Leiszner, S. S., Briganti, M., Cucinotta, G., Otero, E., Mannini, M. & Perfetti, M. (2024). Temperature Induced Reversible Switching of the Magnetic Anisotropy in a Neodymium Complex Adsorbed on Graphite. Small, 20(38), Artikel 2401627. https://doi.org/10.1002/smll.202401627

Behrens, M. A., Bergenholtz, J. & Pedersen, J. S. (2014). Temperature-Induced Attractive Interactions of PEO-Containing Block Copolymer Micelles. Langmuir, 30(21), 6021-6029. https://doi.org/10.1021/la500154s

Jensen, R. L., Arnbjerg, J. & Ogilby, P. R. (2010). Temperature Effects on the Solvent-Dependent Deactivation of Singlet Oxygen. Journal of the American Chemical Society, 132, 8098-8105.

Jensen, R. L., Holmegaard, L. & Ogilby, P. R. (2013). Temperature Effect on Radiative Lifetimes: The Case of Singlet Oxygen in Liquid Solvents. Journal of Physical Chemistry Part B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical, 117(50), 16227-16235. https://doi.org/10.1021/jp410185n

Nordenström, A., Iakunkov, A., Boulanger, N., Li, G., Hennig, C., Baburin, I., Jørgensen, M., Kantor, I. & Talyzin, A. V. (2023). Temperature dependent intercalation of molten 1-hexadecanol into Brodie graphite oxide. Carbon, 203, 770-784. https://doi.org/10.1016/j.carbon.2022.12.030

Valli, D., Ottesen, M., Bremholm, M., Wiedmann, S., Tinnemans, P., Van de Vondel, J., Roeffaers, M., Debroye, E., Hofkens, J. & Keshavarz, M. (2023). Temperature-Dependent Evolution of the Structural and Optoelectronic Properties of (NH₄)₃Sb₂I₉ Single Crystals. Journal of Physical Chemistry C, 127(41), 20419-20425. https://doi.org/10.1021/acs.jpcc.3c05132

Lee, J. J., Fuller, R. O., Sobolev, A., Clausen, H. F., Overgaard, J., Koutsantonis, G., Iversen, B. B. & Spackman, M. (2011). Temperature-dependent crystal structure of the isopropanol clathrate of Dianin's compound. Chemical Communications, 47(7), 2029-2031. https://doi.org/10.1039/c0cc04418k

Sandemann, J. R., Reardon, H. & Iversen, B. B. (2022). Temperature-dependent crystal structure investigation of 4f hybridized thermoelectric clathrate Ba8–xCexAuySi46–y. Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials, 78, 359-368. https://doi.org/10.1107/S205252062101310X

Pedersen, J. S. & Sommer, C. (2005). Temperature dependence of the virial coefficients and the chi parameter in semi-dilute solutions of PEG. Progress in Colloid and Polymer Science, 130, 1-9.

Sommer, C. & Pedersen, J. S. (2004). Temperature dependence of the structure and interaction of starlike PEG-based block copolymer micelles. Macromolecules, 37(5), 1682-1685.

Holm, K. A. U., Roth, N., Zeuthen, C. M., Tolborg, K., Feidenhans'l, A. A. & Iversen, B. B. (2020). Temperature dependence of dynamic dipole formation in PbTe. Physical Review B, 102(2), Artikel 024112. https://doi.org/10.1103/PhysRevB.102.024112

Juul, S., Iacovelli, F., Falconi, M., Kragh, S. L., Christensen, B. S., Hougaard, R. F., Franch, O., Kristoffersen, E. L., Stougaard, M., Leong, K. W., Ho, Y.-P., Sørensen, E. S., Birkedal, V., Desideri, A. & Knudsen, B. R. (2013). Temperature-Controlled Encapsulation and Release of an Active Enzyme in the Cavity of a Self-Assembled DNA Nanocage. ACS Nano, 7(11), 9724-9734. https://doi.org/10.1021/nn4030543

Beltrán-Pitarch, B., Guralnik, B., Borup, K. A., Adelmann, C., Hansen, O., Pryds, N. & Petersen, D. H. (2024). Temperature coefficient of resistance and thermal boundary conductance determination of ruthenium thin films by micro four-point probe. Measurement Science and Technology, 35(6), Artikel 066012. https://doi.org/10.1088/1361-6501/ad366b

Jensen, L. N., Canagaratna, M. R., Kristensen, K., Quéléver, L. L. J., Rosati, B., Teiwes, R., Glasius, M., Pedersen, H. B., Ehn, M. & Bilde, M. (2021). Temperature and volatile organic compound concentrations as controlling factors for chemical composition of α-pinene-derived secondary organic aerosol. Atmospheric Chemistry and Physics, 21(15), 11545-11562. https://doi.org/10.5194/acp-21-11545-2021

Gunnlaugsson, H. P., Holstein-Rathlau, C., Merrison, J. P., Jensen, S. K., Lange, C. F., Larsen, S. E., Madsen, M. B., Nørnberg, P., Bechtold, H. K., Hald, E., Iversen, J. J., Lange, P., Lykkegaard, F., Rander, F., Lemmon, M., Renno, N., Taylor, P. & Smith, P. (2008). Telltale wind indicator for the Mars Phoenix lander. Journal of Geophysical Research: Planets, 113, E00A04/1-E00A04/6.

Nielsen, N. C., Malmendal, A. & Vosegaard, T. (2004). Techniques and Applications of NMR to Membrane Proteins. Mol. Membr. Biol., 21, 129-141.

Hyttinen, N., Heshmatnezhad, R., Elm, J., Kurtén, T. & Prisle, N. L. (2020). Technical note: Estimating aqueous solubilities and activity coefficients of mono- And α,ω-dicarboxylic acids using COSMOtherm. Atmospheric Chemistry and Physics, 20(21), 13131-13143. https://doi.org/10.5194/acp-20-13131-2020

Scrivener, K. L., Lothenbach, B., De Belie, N., Gruyaert, E., Skibsted, J., Snellings, R. & Vollpracht, A. (2015). TC 238-SCM: hydration and microstructure of concrete with SCMs: State of the art on methods to determine degree of reaction of SCMs. Materials and Structures, 48(4), 835-862. https://doi.org/10.1617/s11527-015-0527-4

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