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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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Baudin, P., Kjærgaard, T. & Kristensen, K. (2017). CC2 oscillator strengths within the local framework for calculating excitation energies (LoFEx). Journal of Chemical Physics, 146(14), 144107. Article 144107. https://doi.org/10.1063/1.4979713

Madsen, R. B., Zhang, H., Biller, P., Goldstein, A. H. & Glasius, M. (2017). Characterizing Semivolatile Organic Compounds of Biocrude from Hydrothermal Liquefaction of Biomass. Energy & Fuels, 31(4), 4122-4134. https://doi.org/10.1021/acs.energyfuels.7b00160

Gothelf, K. V. (2017). Chemical modifications and reactions in DNA nanostructures. MRS Bulletin, 42(12), 897-903. https://doi.org/10.1557/mrs.2017.276

Veronika, O., Kasalová-Vargová, V., Kekedy-Nagy, L., Černocká, H. & Ferapontova, E. (2017). Chronopotentiometric sensing of specific interactions between lysozyme and the DNA aptamer. Bioelectrochemistry, 114, 42-47. https://doi.org/10.1016/j.bioelechem.2016.12.003

Bertolotti, F., Protesescu, L., Kovalenko, M. V., Yakunin, S., Cervellino, A., Billinge, S. J. L., Terban, M. W., Pedersen, J. S., Masciocchi, N. & Guagliardi, A. (2017). Coherent Nanotwins and Dynamic Disorder in Cesium Lead Halide Perovskite Nanocrystals. A C S Nano, 11(4), 3819-3831. https://doi.org/10.1021/acsnano.7b00017

Sørensen, L. K. & Olsen, J. (2017). Collecting all intermediates with an optimal scaling for the generalised-active-space coupled-cluster method with application to SbH. Molecular Physics, 115(1-2), 90-108. https://doi.org/10.1080/00268976.2016.1195926

Fiedler, B., Schmitz, G. A., Hättig, C. & Friederich, J. (2017). Combining Accuracy and Efficiency: An Incremental Focal-Point Method Based on Pair Natural Orbitals. Journal of Chemical Theory and Computation, 13(12), 6023-6042. https://doi.org/10.1021/acs.jctc.7b00654

Plerdsranoy, P., Javadian, P., Jensen, N. D., Nielsen, U. G., Jensen, T. R. & Utke, R. (2017). Compaction of LiBH₄-LiAlH₄ nanoconfined in activated carbon nanofibers: Dehydrogenation kinetics, reversibility, and mechanical stability during cycling. International Journal of Hydrogen Energy, 42(2), 1036–1047. https://doi.org/10.1016/j.ijhydene.2016.09.056

Staal, L. B., Pushparaj, S. S. C., Forano, C., Prevot, V., Ravnsbaek, D. B., Bjerring, M. & Nielsen, U. G. (2017). Competitive reactions during synthesis of zinc aluminum layered double hydroxides by thermal hydrolysis of urea. Journal of Materials Chemistry A, 5(41), 21795-21806. https://doi.org/10.1039/c7ta05761j, https://doi.org/10.1039/C7TA05761J

Moller, K. T., Sheppard, D., Ravnsbaek, D. B., Buckley, C. E., Akiba, E., Li, H.-W. & Jensen, T. R. (2017). Complex Metal Hydrides for Hydrogen, Thermal and Electrochemical Energy Storage. Energies, 10(10), Article 1645. https://doi.org/10.3390/en10101645

Birkbak, M., Nielsen, I., Froelich, S., Stock, S. R., Kenesei, P., Almer, J. D. & Birkedal, H. (2017). Concurrent determination of nanocrystal shape and amorphous phases in complex materials by diffraction scattering computed tomography. Journal of Applied Crystallography, 50(1), 192-197. https://doi.org/10.1107/S1600576716019543

Manuguerra, I., Grossi, G., Thomsen, R. P., Lyngsø, J., Pedersen, J. S., Kjems, J., Andersen, E. S. & Gothelf, K. V. (2017). Construction of a Polyhedral DNA 12-Arm Junction for Self-Assembly of Wireframe DNA Lattices. A C S Nano, 11(9), 9041-9047. https://doi.org/10.1021/acsnano.7b03538

Petersen, S. V., Qiu, L. & Li, D. (2017). Controlled Gelation of Graphene Towards Unprecedented Superstructures. Chemistry - A European Journal, 23(54), 13264-13269. https://doi.org/10.1002/chem.201703121

Smith, A. A. A., Autzen, H. E., Laursen, T., Wu, V., Yen, M., Hall, A., Hansen, S. D., Cheng, Y. & Xu, T. (2017). Controlling Styrene Maleic Acid Lipid Particles through RAFT. Biomacromolecules, 18(11), 3706-3713. https://doi.org/10.1021/acs.biomac.7b01136

Juhl, M., Laursen, S., Huang, Y., Nielsen, D. U., Daasbjerg, K. & Skrydstrup, T. (2017). Copper-Catalyzed Carboxylation of Hydroborated Disubstituted Alkenes and Terminal Alkynes With Cesium Fluoride. ACS Catalysis, 7(2), 1392-1396. https://doi.org/10.1021/acscatal.6b03571

Juhl, M., Laursen, S. L. R., Huang, Y., Nielsen, D. U., Daasbjerg, K. & Skrydstrup, T. (2017). Correction to Copper-Catalyzed Carboxylation of Hydroborated Disubstituted Alkenes and Terminal Alkynes with Cesium Fluoride. A C S Catalysis, 7(3), 2247-2247. https://doi.org/10.1021/acscatal.7b00449

Malmos, K. G., Bjerring, M., Jessen, C. M., Nielsen, E. H. T., Poulsen, E. T., Christiansen, G., Vosegaard, T., Skrydstrup, T., Enghild, J. J., Pedersen, J. S. & Otzen, D. E. (2017). Correction to: How glycosaminoglycans promote fibrillation of salmon calcitonin. Journal of Biological Chemistry, 292(38), 15992. https://doi.org/10.1074/jbc.A116.715466

Baudin, P. & Kristensen, K. (2017). Correlated natural transition orbital framework for low-scaling excitation energy calculations (CorNFLEx). Journal of Chemical Physics, 146(21), Article 214114. https://doi.org/10.1063/1.4984820

Burt, M., Boll, R., Lee, J. W. L., Amini, K., Köckert, H., Vallance, C., Gentleman, A. S., Mackenzie, S. R., Bari, S., Bomme, C., Düsterer, S., Erk, B., Manschwetus, B., Müller, E., Rompotis, D., Savelyev, E., Schirmel, N., Techert, S., Treusch, R. ... Rolles, D. (2017). Coulomb-explosion imaging of concurrent CH2 BrI photodissociation dynamics. Physical Review A, 96(4), Article 043415. https://doi.org/10.1103/PhysRevA.96.043415

Koefoed, L., Pedersen, S. U. & Daasbjerg, K. (2017). Covalent Modification of Glassy Carbon Surfaces by Electrochemical Grafting of Aryl Iodides. Langmuir, 33(13), 3217-3222. https://doi.org/10.1021/acs.langmuir.7b00300

Risør, M. W., Juhl, D. W., Bjerring, M., Mathiesen, J., Enghild, J. J., Nielsen, N. C. & Otzen, D. E. (2017). Critical Influence of Cosolutes and Surfaces on the Assembly of Serpin-Derived Amyloid Fibrils. Biophysical Journal, 113(3), 580-596. https://doi.org/10.1016/j.bpj.2017.06.030

Eikeland, E. Z., Blichfeld, A. B., Borup, K., Zhao, K., Overgaard, J., Shi, X., Chen, L. & Iversen, B. B. (2017). Crystal structure across the β to α phase transition in thermoelectric Cu₂−_xSe. IUCrJ, 4, 476-485. https://doi.org/10.1107/S2052252517005553

Jiang, B., Qiu, P., Eikeland, E. Z., Chen, H., Song, Q., Ren, D., Zhang, T., Yang, J., Iversen, B. B., Shi, X. & Chen, L. (2017). Cu₈GeSe₆-based thermoelectric materials with an argyrodite structure. Journal of Materials Chemistry C, 5(4), 943-952. https://doi.org/10.1039/C6TC05068A

Palazzo, T. A., Mose, R. & Jørgensen, K. A. (2017). Cycloaddition Reactions: Why Is It So Challenging To Move from Six to Ten Electrons? Angewandte Chemie International Edition, 56(34), 10033-10038. https://doi.org/10.1002/anie.201701085

Sæther, S., Kjærgaard, T., Koch, H. & Høyvik, I. M. (2017). Density-Based Multilevel Hartree-Fock Model. Journal of Chemical Theory and Computation, 13(11), 5282-5290. https://doi.org/10.1021/acs.jctc.7b00689

Battocchio, G., Madsen, N. K. & Christiansen, O. (2017). Density matrices and iterative natural modals in vibrational structure theory. Molecular Physics, 115(1-2), 228-240. https://doi.org/10.1080/00268976.2016.1243263

Schmüser, L., Roeters, S., Lutz, H., Woutersen, S., Bonn, M. & Weidner, T. (2017). Determination of Absolute Orientation of Protein α-Helices at Interfaces Using Phase-Resolved Sum Frequency Generation Spectroscopy. The Journal of Physical Chemistry Letters, 8(13), 3101-3105. https://doi.org/10.1021/acs.jpclett.7b01059

Elm, J., Passananti, M., Kurtén, T. & Vehkamäki, H. (2017). Diamines Can Initiate New Particle Formation in the Atmosphere. The Journal of Physical Chemistry A, 121(32), 6155-6164. https://doi.org/10.1021/acs.jpca.7b05658

Meninno, S., Roselli, A., Capobianco, A., Overgaard, J. & Lattanzi, A. (2017). Diastereodivergent and Enantioselective Access to Spiroepoxides via Organocatalytic Epoxidation of Unsaturated Pyrazolones. Organic Letters, 19(19), 5030-5033. https://doi.org/10.1021/acs.orglett.7b02189

Blom, J., Vidal-Albalat, A., Jørgensen, J., Barløse, C. L., Jessen, K. S., Iversen, M. V. & Jørgensen, K. A. (2017). Directing the Activation of Donor–Acceptor Cyclopropanes Towards Stereoselective 1,3-Dipolar Cycloaddition Reactions by Brønsted Base Catalysis. Angewandte Chemie - International Edition, 56(39), 11831-11835. https://doi.org/10.1002/anie.201706150

Blázquez-Castro, A. (2017). Direct ¹O₂ optical excitation: A tool for redox biology. Redox Biology, 13, 39-59. https://doi.org/10.1016/j.redox.2017.05.011

Zhang, J., Song, L., Pedersen, S. H., Yin, H., Hung, L. T. & Iversen, B. B. (2017). Discovery of high-performance low-cost n-type Mg₃Sb₂-based thermoelectric materials with multi-valley conduction bands. Nature Communications, 8, Article 13901. https://doi.org/10.1038/ncomms13901

Quyang , X., Stefano, M. D., Krissanaprasit, A., Kodal, A. L. B., Rosen, C. B., Liu, T., Helmig, S. W., Fan, C. & Gothelf, K. V. (2017). Docking of Antibodies into Cavities in DNA Origami. Angewandte Chemie International Edition, 56(46), 14423-14427. https://doi.org/10.1002/anie.201706765

Hu, X., Shi, Z., Shi, C., Wu, Z., Tong, B., Ou, Z. & de Schutter, G. (2017). Drying shrinkage and cracking resistance of concrete made with ternary cementitious components. Construction and Building Materials, 149, 406-415. https://doi.org/10.1016/j.conbuildmat.2017.05.113

Jakobsen, H. J., Lindhardt, A. T., Bildsøe, H., Skibsted, J., Gan, Z., Hung, I. & Larsen, F. H. (2017). Dynamic Solid-State NMR Experiments Reveal Structural Changes for a Methyl Silicate Nanostructure on Deuterium Substitution. Journal of Physical Chemistry C, 121(47), 26507-26518. https://doi.org/10.1021/acs.jpcc.7b08826

Hu, X., Shi, C., Shi, Z., Tong, B. & Wang, D. (2017). Early age shrinkage and heat of hydration of cement-fly ash-slag ternary blends. Construction and Building Materials, 153, 857-865. https://doi.org/10.1016/j.conbuildmat.2017.07.138

Newlands, K. C., Foss, M., Matchei, T., Skibsted, J. & Macphee, D. E. (2017). Early stage dissolution characteristics of aluminosilicate glasses with blast furnace slag- and fly-ash-like compositions. Journal of the American Ceramic Society, 100(5), 1941-1955. https://doi.org/10.1111/jace.14716

Shi, Z., Shi, C., Wan, S. & Ou, Z. (2017). Effect of alkali dosage on alkali-silica reaction in sodium hydroxide activated slag mortars. Construction and Building Materials, 143, 16-23. https://doi.org/10.1016/j.conbuildmat.2017.03.125

Palunas, K., Sprenger, K. G., Weidner, T. & Pfaendtner, J. (2017). Effect of an ionic liquid/air Interface on the structure and dynamics of amphiphilic peptides. Journal of Molecular Liquids, 236, 404-413. https://doi.org/10.1016/j.molliq.2017.04.027

Mirhosseini, M., Rezania, A., Rosendahl, L. & Iversen, B. B. (2017). Effect of Thermal Cycling on Zinc Antimonide Thin Film Thermoelectric Characteristics. Energy Procedia, 142, 519-524. https://doi.org/10.1016/j.egypro.2017.12.081

Madsen, N. K., Godtliebsen, I. H. & Christiansen, O. (2017). Efficient algorithms for solving the non-linear vibrational coupled-cluster equations using full and decomposed tensors. Journal of Chemical Physics, 146(13), Article 134110. https://doi.org/10.1063/1.4979498

Bjerglund, E., Kristensen, M. E. P., Stambula, S., Botton, G., Pedersen, S. U. & Daasbjerg, K. (2017). Efficient Graphene Production by Combined Bipolar Electrochemical Intercalation and High-Shear Exfoliation. ACS Omega, 2(10), 6492-6499. https://doi.org/10.1021/acsomega.7b01057

Abbasi, A. R., Karimi, M. & Daasbjerg, K. (2017). Efficient removal of crystal violet and methylene blue from wastewater by ultrasound nanoparticles Cu-MOF in comparison with mechanosynthesis method. Ultrasonics Sonochemistry, 37, 182-191. https://doi.org/10.1016/j.ultsonch.2017.01.007

Flinker, M., Yin, H., Juhl, R. W., Eikeland, E. Z., Overgaard, J., Nielsen, D. U. & Skrydstrup, T. (2017). Efficient Water Reduction with sp3-sp3 Diboron(4) Compounds: Application to Hydrogenations, H-D Exchange Reactions and Carbonyl Reductions. Angewandte Chemie International Edition, 56(50), 15910-15915. https://doi.org/10.1002/anie.201709685

Mi, J. L., Ying, P. J., Sist, M., Reardon, H., Zhang, P., Zhu, T. J., Zhao, X. B. & Iversen, B. B. (2017). Elaborating the Crystal Structures of MgAgSb Thermoelectric Compound: Polymorphs and Atomic Disorders. Chemistry of Materials, 29(15), 6378-6388. https://doi.org/10.1021/acs.chemmater.7b01768

Ferapontova, E. E. (2017). Electrochemical Analysis of Dopamine: Perspectives of Specific In Vivo Detection. Electrochimica Acta, 245, 664-671. https://doi.org/10.1016/j.electacta.2017.05.183

Fapyane, D. & Ferapontova, E. E. (2017). Electrochemical Assay for a Total Cellulase Activity with Improved Sensitivity. Analytical Chemistry, 89(7), 3959-3965. https://doi.org/10.1021/acs.analchem.6b04391

Tamtogl, A., Kraus, P., Avidor, N., Bremholm, M., Hedegaard, E. M. J., Iversen, B. B., Bianchi, M., Hofmann, P., Ellis, J., Allison, W., Benedek, G. & Ernst, W. E. (2017). Electron-phonon coupling and surface Debye temperature of Bi2Te3(111) from helium atom scattering. Physical Review B, 95(19), Article 195401. https://doi.org/10.1103/PhysRevB.95.195401

Elm, J. (2017). Elucidating the Limiting Steps in Sulfuric Acid-Base New Particle Formation. The Journal of Physical Chemistry A, 121(43), 8288-8295. https://doi.org/10.1021/acs.jpca.7b08962

Heere, M., GharibDoust, S. H. P., Sørby, M. H., Frommen, C., Jensen, T. R. & Hauback, B. C. (2017). In situ investigations of bimetallic potassium erbium borohydride. International Journal of Hydrogen Energy, 42(35), 22468-22474. https://doi.org/10.1016/j.ijhydene.2017.04.271

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Department of Chemistry