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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 Department of Chemistry

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Nielsen, L. S., Šantl-Temkiv, T., Palomeque Sánchez, M., Massling, A., Ward, J. C., Jensen, P. B., Boesen, T., Petters, M., Finster, K., Bilde, M. & Rosati, B. (2024). Water Uptake of Airborne Cells of P. syringae Measured with a Hygroscopicity Tandem Differential Mobility Analyzer. Environmental Science & Technology, 58(43), 19211-19221. https://doi.org/10.1021/acs.est.4c01817

Sørensen, S. S., Christensen, A. K. R., Bouros-Bandrabur, E. A., Andersen, E. S., Christiansen, H. F., Lang, S., Cao, F., Jalaludeen, M. F. U., Christensen, J. F. S., Winters, W. M. W., Andersen, B. P., Nielsen, A. B., Nielsen, N. C., Bomholdt Ravnsbæk, D., Kristensen, P. K., Yue, Y. & Smedskjær, M. M. (2024). Water Promotes Melting of a Metal-Organic Framework. Chemistry of Materials, 36(6), 2756-2766. https://doi.org/10.1021/acs.chemmater.3c02873

Johny, M., Schouder, C. A., Al-Refaie, A., He, L., Wiese, J., Stapelfeldt, H., Trippel, S. & Küpper, J. (2024). Water is a radiation protection agent for ionised pyrrole. Physical Chemistry Chemical Physics, 26(17), 13118-13130. https://doi.org/10.1039/d3cp03471b

Shipovskov, S., Oliveira, C. L. P., Hoffmann, S. V., Schauser, L., Sutherland, D., Besenbacher, F. & Pedersen, J. S. (2012). Water-in-Oil Micro-Emulsion Enhances the Secondary Structure of a Protein by Confinement. ChemPhysChem, 13(13), 3179-3184. https://doi.org/10.1002/cphc.201200295

Jensen, T. R., Jensen, M. Ø., Reitzel, N., Balashev, K., Peters, G. H., Kjaer, K. & Bjørnholm, T. (2003). Water in Contact with Extended Hydrophobic Surfaces: Direct Evidence of Weak Dewetting. Physical Review Letters, 90, 861011-861014.

Hadjadj, R., Csizmadia, I. G., Mizsey, P., Jensen, S. K., Viskolcz, B. & Fiser, B. (2020). Water enhanced mechanism for CO₂ – Methanol conversion. Chemical Physics Letters, 746, Article 137298. https://doi.org/10.1016/j.cplett.2020.137298

Ecco, L. G., Fedel, M., Deflorian, F., Becker, J., Iversen, B. B. & Mamakhel, M. A. H. (2016). Waterborne acrylic paint system based on nanoceria for corrosion protection of steel. Progress in Organic Coatings, 96, 19-25. https://doi.org/10.1016/j.porgcoat.2016.02.010

Nielsen, O. F., Bilde, M. & Foverskov, M. F. M. (2012). Water Activity. Spectroscopy, 27, 565-569. https://doi.org/10.1155/2012/414635

Tyrsted, C., Pauw, B., Jensen, K. M. Ø., Becker-Christensen, J., Christensen, M. & Iversen, B. B. (2012). Watching Nanoparticles Form: An In Situ (Small-/Wide-Angle X-ray Scattering/Total Scattering) Study of the Growth of Yttria-Stabilised Zirconia in Supercritical Fluids. Chemistry: A European Journal, 18(18), 5759-5766. https://doi.org/10.1002/chem.201102826

Petersen, T. C., Zhao, C., Bøjesen, E. D., Broge, N. L. N., Hata, S., Liu, Y. & Etheridge, J. (2022). Volume imaging by tracking sparse topological features in electron micrograph tilt series. Ultramicroscopy, 236, Article 113475. https://doi.org/10.1016/j.ultramic.2022.113475

Yli-Juuti, T., Zardini, A. A., Eriksson, A. C., Hansen, A. M. K., Pagels, J. H., Swietlicki, E., Svenningsson, B., Glasius, M., Worsnop, D., Riipinen, I. & Bilde, M. (2013). Volatility of Organic Aerosol: Evaporation of Ammonium Sulfate/Succinic Acid Aqueous Solution Droplets. Environmental Science & Technology, 47(21), 12123-12130. https://doi.org/10.1021/es401233c

Filsø, M. Ø., Turner, M. J., Gibbs, G. V., Adams, S., Spackman, M. A. & Iversen, B. B. (2013). Visualizing lithium-ion migration pathways in battery materials. Chemistry: A European Journal, 19(46), 15535-15544. https://doi.org/10.1002/chem.201301504

Besenbacher, F., Jensen, F., Lægsgaard, E., Mortensen, K. & Stensgaard, I. (1990). Visualization of the dynamics in surface reconstructions. J. Vac. Sci. Tech., B9, 874.

Sherin, P. S., Vysniauskas, A., Lopez-Duarte, I., Ogilby, P. R. & Kuimova, M. K. (2021). Visualising UV-A Light-Induced Damage to Plasma Membranes of Eye Lens. Journal of Photochemistry and Photobiology, B: Biology, 225, Article 112346. https://doi.org/10.1016/j.jphotobiol.2021.112346

Nazari, P., Nouri, O. & Rahman Setayesh, S. (2018). Visible Photocatalytic Oxygen Evolution over Co and Ni doped gC3N4/rGO. In 5th International Conference on Applied Research in Chemistry and Chemical Engineering

Mühlfenzl, K. S., Sardana, M., Skrydstrup, T. & Elmore, C. S. (2022). Visible-Light Enabled Late-Stage, Room-Temperature Aminocarbonylation of Aryl Iodides with Labeled Carbon Monoxide. ChemistrySelect, 7(46), Article e202203582. https://doi.org/10.1002/slct.202203582

Mirbagheri, N., Wang, D., Peng, C., Wang, J., Huang, Q., Fan, C. & Ferapontova, E. (2014). Visible Light Driven Photoelectrochemical Water Oxidation by Zn- and Ti- doped Hematite Nanostructures. A C S Catalysis, 4(6), 2006-2015. https://doi.org/10.1021/cs500372v

Kiland, K. J., Mahrt, F., Peng, L., Nikkho, S., Zaks, J., Crescenzo, G. V. & Bertram, A. K. (2023). Viscosity, Glass Formation, and Mixing Times within Secondary Organic Aerosol from Biomass Burning Phenolics. ACS Earth and Space Chemistry, 7(7), 1388-1400. https://doi.org/10.1021/acsearthspacechem.3c00039

Nielsen, J. T. & Nielsen, N. C. (2014). VirtualSpectrum, a Tool for Simulating Peak List for Multiple-Dimensional NMR Spectra. Journal of Biomolecular N M R, 60(1), 51-66. https://doi.org/10.1007/s10858-014-9851-1

Wei, S., Persch, C., Stolpe, M., Evenson, Z., Coleman, G., Lucas, P. & Wuttig, M. (2020). Violation of the Stokes–Einstein relation in Ge₂Sb₂Te₅, GeTe, Ag₄In₃Sb₆₇Te₂₆, and Ge₁₅Sb₈₅, and its connection to fast crystallization. Acta Materialia, 195, 491-500. https://doi.org/10.1016/j.actamat.2020.05.044

Hedberg, C., Estrup, M., Eikeland, E. Z. & Jensen, H. H. (2018). Vinyl Grignard-Mediated Stereoselective Carbocyclization of Lactone Acetals. Journal of Organic Chemistry, 83(4), 2154-2165. https://doi.org/10.1021/acs.joc.7b03079

Christiansen, O. (2007). Vibrational structure theory: New vibrational wave functions methods for calculation of anharmonic vibrational energies and vibrational contributions to molecular properties. Physical Chemistry Chemical Physics, 9, 2942-2953.

Toffoli, D., Sparta, M. & Christiansen, O. (2011). Vibrational spectroscopy of hydrogen-bonded systems: Six-dimensional simulation of the IR spectrum of F-(H₂O) complex. Chemical Physics Letters, 510(1-3), 36–41.

Jensen, S. K., Thøgersen, J. & Keiding, S. R. (2014). Vibrational relaxation of NO₃^-(aq). Chemical Physics, 442, 86-92. https://doi.org/10.1016/j.chemphys.2014.03.014

Thomsen, C. L., Thøgersen, J. & Keiding, S. R. (2001). Vibrational relaxation of aqueous CS2. Journal of Chemical Physics, 114, 4099-4106.

Boye, S., Krogh, H., Nielsen, I. B., Nielsen, S. B., Pedersen, S. U., Pedersen, U. V., Andersen, L. H., Bell, A. F., He, X. & Tonge, P. J. (2003). Vibrationally resolved photoabsorption spectroscopy of red fluorescent protein chromophore anions. Physical Review Letters, 90, 118103.

Madsen, D., Christiansen, O., Norman, P. & Koenig, C. (2019). Vibrationally resolved emission spectra of luminescent conjugated oligothiophenes from anharmonic calculations. Physical Chemistry Chemical Physics, 21(31), 17410-17422. https://doi.org/10.1039/c9cp03039e

Moitra, T., Madsen, D., Christiansen, O. & Coriani, S. (2020). Vibrationally resolved coupled-cluster xray absorption spectra from vibrational configuration interaction anharmonic calculations. The Journal of Chemical Physics, 153(23), Article 234111. https://doi.org/10.1063/5.0030202

Bader, F., Lauvergnat, D. & Christiansen, O. (2023). Vibrationally correlated calculations in polyspherical coordinates: Taylor expansion-based kinetic energy operators. Journal of Chemical Physics, 159(21), Article 214107. https://doi.org/10.1063/5.0171912

Seidler, P. & Christiansen, O. (2007). Vibrational excitation energies from vibrational coupled cluster response theory. Journal of Chemical Physics, 126, 204101/1-204101/11.

Weijo, V., Hansen, M. B., Christiansen, O. & Manninen, P. (2009). Vibrational effects in the parity-violating contributions to the isotropic nuclear magnetic resonance chemical shift. Chemical Physics Letters, 470, 166-171.

Nielsen, J. B., Thøgersen, J., Jensen, S. K. & Keiding, S. R. (2011). Vibrational dynamics of deoxyguanosine 5[prime or minute]-monophosphate following UV excitation. Physical Chemistry Chemical Physics, 13(30), 13821-13826. https://doi.org/10.1039/C1CP20918C

Seidler, P., Gras, E. M. & Christiansen, O. (2009). Vibrational coupled cluster theory with full two-mode and approximate three-mode couplings: The VCC[2pt3] model. Journal of Chemical Physics, 131, 034115.

Christiansen, O. (2003). Vibrational coupled cluster theory. Journal of Chemical Physics, 120, 2149-2159.

Christiansen, O. (2004). Vibrational coupled cluster theory. Journal of Chemical Physics, 120, 2149-2159.

Seidler, P., Sparta, M. & Christiansen, O. (2011). Vibrational coupled cluster response theory: A general implementation. Journal of Chemical Physics, 134, 054119–15.

Klinting, E. L., Lauvergnat, D. & Christiansen, O. (2020). Vibrational Coupled Cluster Computations in Polyspherical Coordinates with the Exact Analytical Kinetic Energy Operator. Journal of Chemical Theory and Computation, 16(7), 4505-4520. https://doi.org/10.1021/acs.jctc.0c00261

Hansen, M. B., Toffoli, D., Christiansen, O. & Kongsted, J. (2008). Vibrational contributions to indirect spin-spin coupling constants calcualted via variational anharmoic approaches. Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, 112, 8436-8445.

Hansen, M. B. & Christiansen, O. (2011). Vibrational contributions to cubic response functions from vibrational configuration interaction response theory. Journal of Chemical Physics, 135(15), 154107. http://link.aip.org/link/?JCP/135/154107

Kongsted, J. & Christiansen, O. (2007). Vibrational and thermal effects on the dipole polarizability of methane and carbon tetrachloride from vibrational structure calculations. Journal of Chemical Physics, 127(15), 154315/1-154315/9.

Majland, M., Ettenhuber, P., Zinner, N. T. & Christiansen, O. (2024). Vibrational ADAPT-VQE: Critical points lead to problematic convergence. The Journal of Chemical Physics, 160(15), Article 154109. https://doi.org/10.1063/5.0191074

Thomsen, B., Hansen, M. B., Seidler, P. & Christiansen, O. (2012). Vibrational absorption spectra from vibrational coupled cluster damped linear response functions calculated using an asymmetric Lanczos algorithm. Journal of Chemical Physics, 136(12), 124101. http://dx.doi.org/10.1063/1.3690065

Seidler, P., Hansen, M. B., Gyorffy, W., Toffoli, D. & Christiansen, O. (2010). Vibrational absorption spectra calculated from vibrational configuration interaction response theory using the Lanczos method. Journal of Chemical Physics, 132(16), 164105.

Jensen, A. B., Christensen, T. E. K., Weninger, C. & Birkedal, H. (2022). Very large-scale diffraction investigations enabled by a matrix-multiplication facilitated radial and azimuthal integration algorithm: MatFRAIA. Journal of Synchrotron Radiation, 29(Pt 6), 1420-1428. https://doi.org/10.1107/S1600577522008232

Nielsen, L. T., Cecatto, M., Holm, A. H., Kristensen, M. V., Pedersen, S. U. & Daasbjerg, K. (2009). Versatile Transformations of Alkylamine-derivatized glassy carbon electrodes using aryl isocyanates. Langmuir, 25(20), 12160-12168.

Juhl, D. W., Tosner, Z. & Vosegaard, T. (2020). Versatile NMR simulations using SIMPSON. Annual Reports on N M R Spectroscopy, 100(Chapter One), 1-59. https://doi.org/10.1016/bs.arnmr.2019.12.001

Jensen, T. R., Nielsen, T. K., Filinchuk, Y., Jørgensen, J.-E., Cerenius, Y., MacA. Gray, E. & J. Webb, C. (2010). Versatile in situ powder X-ray diffraction cells for solid-gas investigations. Journal of Applied Crystallography, 43, 1456-1463. https://doi.org/10.1107/S0021889810038148

Lund, H., Svith, H., Pedersen, S. U. & Daasbjerg, K. (2005). Versatile electrochemically based preparation of unusual Grignard reagents containing electrophilic substituents. Electrochimica Acta, 51(4), 655-664.

Underwood, J. G., Procino, I., Christiansen, L., Maurer, J. & Stapelfeldt, H. (2015). Velocity map imaging with non-uniform detection: Quantitative molecular axis alignment measurements via Coulomb explosion imaging. Review of Scientific Instruments, 86(7), Article 073101. https://doi.org/10.1063/1.4922137

Wittig, N. K., Christensen, T. E. K., Grünewald, T. A. & Birkedal, H. (2020). Vase-like β-Polymorph Guanine Crystal Aggregates Formed at the Air-Water Interface. ACS Materials Letters, 2(5), 446-452. https://doi.org/10.1021/acsmaterialslett.9b00447

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Department of Chemistry