Publikationer

Institut for Kemi er et af de mest produktive institutter på universitetet. Der udgives et væld af artikler, som publikationslisten herunder vidner om. Her er de seneste publikationer fra videnskabelige tidsskrifter vist, og listen kan sorteres efter dato, forfatter eller titel.

Seneste publikationer fra Institut for Kemi

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Shi, J., Ma, S., Wei, S., Best, J. P., Stolpe, M., Beckmann, A., Mostafavi, S., Korte-Kerzel, S. & Markert, B. (2020). 3D pore structure characterization and hardness in a powder bed fusion-processed fully amorphous Zr-based bulk metallic glass. Materials Characterization, 162, [110178]. https://doi.org/10.1016/j.matchar.2020.110178

Cheng, B., Morstein, J., Ladefoged, L. K., Maesen, J. B., Schiøtt, B., Sinning, S. & Trauner, D. (2020). A Photoswitchable Inhibitor of the Human Serotonin Transporter. ACS Chemical Neuroscience, 11(9), 1231-1237. https://doi.org/10.1021/acschemneuro.9b00521

Pedersen, J. N., Lyngsø, J., Zinn, T., Otzen, D. & Pedersen, J. S. (2020). A complete picture of protein unfolding and refolding in surfactants. Chemical Science, 11(3), 699-712. https://doi.org/10.1039/C9SC04831F

Sobhani, S., Hosseini Moghadam, H., Skibsted, J. & Sansano, J. M. (2020). A hydrophilic heterogeneous cobalt catalyst for fluoride-free Hiyama, Suzuki, Heck and Hirao cross-coupling reactions in water. Green Chemistry, 22(4), 1353-1365. https://doi.org/10.1039/c9gc03455b

Roth, N., Zhu, T. & Iversen, B. B. (2020). A simple model for vacancy order and disorder in defective half-Heusler systems. IUCrJ, 7(4), 673-680. https://doi.org/10.1107/S2052252520005977

Johansen, M. B., Gedde, O. R., Mayer, T. S. & Skrydstrup, T. (2020). Access to Aryl and Heteroaryl Trifluoromethyl Ketones from Aryl Bromides and Fluorosulfates with Stoichiometric CO. Organic Letters, 22(11), 4068–4072. https://doi.org/10.1021/acs.orglett.0c01117

Capelli, R., Lyu, W., Bolnykh, V., Meloni, S., Olsen, J. M. H., Rothlisberger, U., Parrinello, M. & Carloni, P. (2020). Accuracy of Molecular Simulation-Based Predictions of k_off Values: A Metadynamics Study. The Journal of Physical Chemistry Letters, 11(15), 6373-6381. https://doi.org/10.1101/2020.03.30.015396, https://doi.org/10.1021/acs.jpclett.0c00999

Krause, L., Tolborg, K., Grønbech, T. B. E., Sugimoto, K., Iversen, B. B. & Overgaard, J. (2020). Accurate high-resolution single-crystal diffraction data from a Pilatus3 X CdTe detector. Journal of Applied Crystallography, 53(3), 635-649. https://doi.org/10.1107/S1600576720003775

Artiukhin, D., Klinting, E. L., König, C. & Christiansen, O. (2020). Adaptive density-guided approach to double incremental potential energy surface construction. Journal of Chemical Physics, 152(19), [194105]. https://doi.org/10.1063/5.0004686

Grinderslev, J. B., Ley, M. B., Lee, Y. S., Jepsen, L. H., Jørgensen, M., Cho, Y. W., Skibsted, J. & Jensen, T. R. (2020). Ammine Lanthanum and Cerium Borohydrides, M(BH₄)₃· nNH₃; Trends in Synthesis, Structures, and Thermal Properties. Inorganic Chemistry, 59(11), 7768-7778. https://doi.org/10.1021/acs.inorgchem.0c00817

Yan, Y., Grinderslev, J. B., Lee, Y. S., Jørgensen, M., Cho, Y. W., Černý, R. & Jensen, T. R. (2020). Ammonia-assisted fast Li-ion conductivity in a new hemiammine lithium borohydride, LiBH₄·1/2NH₃. Chemical Communications, 56(28), 3971-3974. https://doi.org/10.1039/c9cc09990e

Hammer, N., Christensen, M. L., Chen, Y., Naharro, D., Liu, F., Jørgensen, K. A. & Houk, K. N. (2020). An Experimental Stereoselective Photochemical [1s,3s]-Sigmatropic Silyl Shift and the Existence of Silyl/Allyl Conical Intersections. Journal of the American Chemical Society, 142(13), 6030-6035. https://doi.org/10.1021/jacs.9b11579

Zelikin, A. N. & Städler, B. (2020). Artificial Biology: Molecular Design and Cell Mimicry. Small, 16(27), [2003442]. https://doi.org/10.1002/smll.202003442

Schmitz, G. & Elm, J. (2020). Assessment of the DLPNO Binding Energies of Strongly Noncovalent Bonded Atmospheric Molecular Clusters. ACS Omega, 5(13), 7601-7612. https://doi.org/10.1021/acsomega.0c00436

Sommer, S., Bøjesen, E. D., Reardon, H. & Iversen, B. B. (2020). Atomic Scale Design of Spinel ZnAl₂O₄ Nanocrystal Synthesis. Crystal Growth and Design, 20(3), 1789-1799. https://doi.org/10.1021/acs.cgd.9b01519

Marefat Khah, A., Reinholdt, P., Olsen, J. M. H., Kongsted, J. & Hättig, C. (2020). Avoiding Electron Spill-Out in QM/MM Calculations on Excited States with Simple Pseudopotentials. Journal of Chemical Theory and Computation, 16(3), 1373-1381. https://doi.org/10.1021/acs.jctc.9b01162

Zajac, M., Lechevallier, A., Durdzinski, P., Bullerjahn, F., Skibsted, J. & Ben Haha, M. (2020). CO2 mineralisation of Portland cement: Towards understanding the mechanisms of enforced carbonation. Journal of CO2 Utilization, 38, 398-415. https://doi.org/10.1016/j.jcou.2020.02.015

Ismael, A., Skrydstrup, T. & Bayer, A. (2020). Carbonylative Suzuki-Miyaura couplings of sterically hindered aryl halides: Synthesis of 2-aroylbenzoate derivatives. Organic and Biomolecular Chemistry, 18(9), 1754-1759. https://doi.org/10.1039/d0ob00044b

Grønbech, T. B. E., Tolborg, K., Svendsen, H., Overgaard, J., Chen, Y-S. & Iversen, B. B. (2020). Chemical bonding in colossal thermopower FeSb₂. Chemistry - A European Journal, 26(39), 8651-8662. https://doi.org/10.1002/chem.202001643

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, [152527]. https://doi.org/10.1016/j.jallcom.2019.152527

Artiukhin, D., Eschenbach, P. & Neugebauer, J. (2020). Computational Investigation of the Spin-Density Asymmetry in Photosynthetic Reaction Center Models from First Principles. Journal of Physical Chemistry B, 124(24), 4873–4888. https://doi.org/10.1021/acs.jpcb.0c02827

Beyer, J., Mamakhel, A., Søndergaard-Pedersen, F., Yu, J. & Iversen, B. B. (2020). Continuous flow hydrothermal synthesis of phase pure rutile TiO₂ nanoparticles with a rod-like morphology. Nanoscale, 12(4), 2695-2702. https://doi.org/10.1039/c9nr09069j

Pries, J., Wei, S., Hoff, F., Lucas, P. & Wuttig, M. (2020). Control of effective cooling rate upon magnetron sputter deposition of glassy Ge₁₅Te₈₅. Scripta Materialia, 178, 223-226. https://doi.org/10.1016/j.scriptamat.2019.11.024

Ravn, A. K., Johansen, M. B. & Skrydstrup, T. (2020). Controlled Release of Reactive Gases: A Tale of Taming Carbon Monoxide. ChemPlusChem, 85(7), 1529-1533. https://doi.org/10.1002/cplu.202000319

Bergman, M. J., Pedersen, J. S., Schurtenberger, P. & Boon, N. (2020). Controlling the morphology of microgels by ionic stimuli. Soft Matter, 16(11), 2786-2794. https://doi.org/10.1039/c9sm02170a

Srivastava, D., Vosegaard, T., Massiot, D. & Grandinetti, P. J. (2020). Core Scientific Dataset Model: A lightweight and portable model and file format for multi-dimensional scientific data. PLOS ONE, 15(1), [e0225953]. https://doi.org/10.1371/journal.pone.0225953

Hölscher, J., Andersen, H. L., Saura-Múzquiz, M., Garbus, P. G. & Christensen, M. (2020). Correlation between microstructure, cation distribution and magnetism in Ni_{1-: X}Zn_xFe₂O₄ nanocrystallites. CrystEngComm, 22(3), 515-524. https://doi.org/10.1039/c9ce01324e

Reinholdt, P., Kjellgren, E. R., Steinmann, C. & Olsen, J. M. H. (2020). Cost-Effective Potential for Accurate Polarizable Embedding Calculations in Protein Environments. Journal of Chemical Theory and Computation, 16(2), 1162-1174. https://doi.org/10.26434/chemrxiv.8126912, https://doi.org/10.1021/acs.jctc.9b00616

Vilstrup, J., Simonsen, A., Birkefeldt, T., Strandbygård, D., Lyngsø, J., Pedersen, J. S. & Thirup, S. (2020). Crystal and solution structures of fragments of the human leucocyte common antigen-related protein. Acta crystallographica Section D: Structural biology , 76, 406-417. https://doi.org/10.1107/S2059798320003885

Deville, C., Folkjær, M., Reinholdt, P., Hvid, M. S., Lamagni, P., Borup, K., Sun, Z., Lauritsen, J. V., McKee, V., Jensen, K. M. Ø. & Lock, N. (2020). Cubes on a string: a series of linear coordination polymers with cubane-like nodes and dicarboxylate linkers. Nanoscale, 12(21), 11601-11611. https://doi.org/10.1039/d0nr01503b

Olsen, J. M. H., Reine, S., Vahtras, O., Kjellgren, E., Reinholdt, P., Hjorth Dundas, K. O., Li, X., Cukras, J., Ringholm, M., Hedegård, E. D., Di Remigio, R., List, N. H., Faber, R., Cabral Tenorio, B. N., Bast, R., Pedersen, T. B., Rinkevicius, Z., Sauer, S. P. A., Mikkelsen, K. V. ... Norman, P. (2020). Dalton Project: A Python platform for molecular- and electronic-structure simulations of complex systems. The Journal of Chemical Physics, 152(21), [214115]. https://doi.org/10.1063/1.5144298

Donslund, A. S., Pedersen, S. S., Gaardbo, C., Neumann, K. T., Kingston, L., Elmore, C. S. & Skrydstrup, T. (2020). Direct Access to Isotopically Labeled Aliphatic Ketones Mediated by Nickel(I) Activation. Angewandte Chemie - International Edition, 59(21), 8099-8103. https://doi.org/10.1002/anie.201916391

Nielsen, T., Märcher, A., Drobňáková, Z., Hučko, M., Štengl, M., Balšánek, V., Wiberg, C., Nielsen, P. F., Nielsen, T. E., Gothelf, K. V. & Cló, E. (2020). Disulphide-mediated site-directed modification of proteins. Organic and Biomolecular Chemistry, 18(25), 4717-4722. https://doi.org/10.1039/d0ob00861c

Zajac, M., Skocek, J., Durdzinski, P., Bullerjahn, F., Skibsted, J. & Ben Haha, M. (2020). Effect of carbonated cement paste on composite cement hydration and performance. Cement and Concrete Research, 134, [106090]. https://doi.org/10.1016/j.cemconres.2020.106090

Fehér, B., Lyngsø, J., Bartók, B., Mihály, J., Varga, Z., Mészáros, R., Pedersen, J. S., Bóta, A. & Varga, I. (2020). Effect of pH on the conformation of bovine serume albumin - gold bioconjugates. Journal of Molecular Liquids, 309, [113065]. https://doi.org/10.1016/j.molliq.2020.113065

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Henvendelse om denne sides indhold:

Marianne Sommer

Revideret 30.07.2020

Publikationer

Seneste publikationer fra Institut for Kemi

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