Find

Til studerende
Til ph.d.er
Til medarbejdere

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

Sortér efter: Dato | Forfatter | Titel

Pan, X., Shi, Z., Shi, C., Ling, T. C. & Li, N. (2017). A review on concrete surface treatment Part I: Types and mechanisms. Construction and Building Materials, 132, 578-590. https://doi.org/10.1016/j.conbuildmat.2016.12.025

Pan, X., Shi, Z., Shi, C., Ling, T. C. & Li, N. (2017). A review on surface treatment for concrete – Part 2: Performance. Construction and Building Materials, 133, 81-90. https://doi.org/10.1016/j.conbuildmat.2016.11.128

Galarneau, E., Patel, M., Brook, J. R., Charland, J. P., Glasius, M., Bossi, R. & Hung, H. (2017). Artefacts in semivolatile organic compound sampling with polyurethane foam substrates in high volume cascade impactors. Aerosol Science and Technology, 51(3), 247 – 257. https://doi.org/10.1080/02786826.2016.1267327

Biller, P., Lawson, D., Madsen, R. B., Becker, J., Iversen, B. B. & Glasius, M. (2017). Assessment of agricultural crops and natural vegetation in Scotland for energy production by anaerobic digestion and hydrothermal liquefaction. Biomass Conversion and Biorefinery, 7(4), 467-477. https://doi.org/10.1007/s13399-016-0230-x

Rojo-Gama, D., Nielsen, M., Wragg, D. S., Dyballa, M., Holzinger, J., Falsig, H., Lundegaard, L. F., Beato, P., Brogaard, R. Y., Lillerud, K. P., Olsbye, U. & Svelle, S. (2017). A Straightforward Descriptor for the Deactivation of Zeolite Catalyst H-ZSM-5. ACS Catalysis, 7(12), 8235-8246. https://doi.org/10.1021/acscatal.7b02193

Li, Y., Barløse, C., Jørgensen, J., Carlsen, B. D. & Jørgensen, K. A. (2017). Asymmetric Catalytic Aza-Diels-Alder/Ring-Closing Cascade Reaction Forming Bicyclic Azaheterocycles by Trienamine Catalysis. Chemistry - A European Journal, 23(1), 38-41. https://doi.org/10.1002/chem.201604310

Klier, L., Tur Espinosa, F., Poulsen, P. H. & Jørgensen, K. A. (2017). Asymmetric cycloaddition reactions catalysed by diarylprolinol silyl ethers. Chemical Society Reviews, 46(4), 1080-1102. https://doi.org/10.1039/c6cs00713a

Schmitz, G., Madsen, N. K. & Christiansen, O. (2017). Atomic-batched tensor decomposed two-electron repulsion integrals. Journal of Chemical Physics, 146(13), Artikel 134112. https://doi.org/10.1063/1.4979571

Di Liberto, G., Pifferi, V., Lo Presti, L., Ceotto, M. & Falciola, L. (2017). Atomistic Explanation for Interlayer Charge Transfer in Metal-Semiconductor Nanocomposites: The Case of Silver and Anatase. The Journal of Physical Chemistry Letters, 8(21), 5372-5377. https://doi.org/10.1021/acs.jpclett.7b02555

Franz, J., Van Zadel, M. J. & Weidner, T. (2017). A trough for improved SFG spectroscopy of lipid monolayers. Review of Scientific Instruments, 88(5), Artikel 053106. https://doi.org/10.1063/1.4982050

Warrick, E. R., Baekhoj, J. E., Cao, W., Fidler, A. P., Jensen, F., Madsen, L. B., Leone, S. R. & Neumark, D. M. (2017). Attosecond transient absorption spectroscopy of molecular nitrogen: Vibrational coherences in the b' ¹Σ⁺_u statestate⁺. Chemical Physics Letters, 683, 408-415. https://doi.org/10.1016/j.cplett.2017.02.013

Poulsen, N. N., Østergaard, J., Petersen, N. J., Daasbjerg, K., Iruthayaraj, J., Dedinaite, A., Makuska, R. & Jensen, H. (2017). Automated coating procedures to produce poly(ethylene glycol) brushes in fused-silica capillaries. Journal of Separation Science, 40(3), 779–788. https://doi.org/10.1002/jssc.201600878

Bogh, S. A., Simmermacher, M., Westberg, M., Bregnhøj, M., Rosenberg, M., De Vico, L., Veiga, M., Laursen, B. W., Ogilby, P. R., Sauer, S. P. A. & Sørensen, T. J. (2017). Azadioxatriangulenium and Diazaoxatriangulenium: Quantum Yields and Fundamental Photophysical Properties. ACS Omega, 2(1), 193-203. https://doi.org/10.1021/acsomega.6b00211

Ferapontova, E. (2017). Basic concepts and recent advances in electrochemical analysis of nucleic acids. Current Opinion in Electrochemistry, 5(1), 218-225. https://doi.org/10.1016/j.coelec.2017.09.026

Elm, J. & Kristensen, K. (2017). Basis set convergence of the binding energies of strongly hydrogen-bonded atmospheric clusters. Physical Chemistry Chemical Physics, 19(2), 1122-1133. https://doi.org/10.1039/c6cp06851k

Nagy, B. & Jensen, F. (2017). Basis Sets in Quantum Chemistry. I A. L. Parrill & K. Lipkowitz (red.), Reviews in computational chemistry (Bind 30, s. 93-150). Wiley.

Koefoed, L., Pedersen, S. U. & Daasbjerg, K. (2017). Bipolar electrochemistry—A wireless approach for electrode reactions. Current Opinion in Electrochemistry, 2(1), 13-17. https://doi.org/10.1016/j.coelec.2017.02.001

Schlafer, S., Ibsen, C. J. S., Birkedal, H. & Nyvad, B. (2017). Calcium-Phosphate-Osteopontin Particles Reduce Biofilm Formation and pH Drops in in situ-Grown Dental Biofilms. Caries Research, 51(1), 26-33. https://doi.org/DOI:10.1159/000451064

Alves, C., Pedersen, J. S. & Oliveira, C. L. P. (2017). Calculation of two-dimensional scattering patterns for oriented systems. Journal of Applied Crystallography, 50(3), 840-850. https://doi.org/10.1107/S1600576717005179

Yu, J., Biller, P., Mamakhel, M. A. H., Klemmer, M., Becker, J., Glasius, M. & Iversen, B. B. (2017). Catalytic hydrotreatment of bio-crude produced from hydrothermal liquefaction of aspen wood: A catalyst screening and parameter optimization study. Sustainable Energy & Fuels, 1(4), 832-841. https://doi.org/10.1039/C7SE00090A

Birkedal, H. (2017). Cation-π Interactions: Mimicking mussel mechanics. Nature Chemistry, 9(5), 408-409. https://doi.org/10.1038/nchem.2774

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. Artikel 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), Artikel 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), Artikel 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), Artikel 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

Viser resultater 2051 til 2100 ud af 5921

42

Revideret 08.05.2026

-

Institut for Kemi