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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

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Petersen, S. V., Olsen, D. A., Kenney, J. M., Valnickova, Z., Thøgersen, I., Enghild, J. J., Oury, T. D. & Crapo, J. D. (2005). The high concentration of Arg213-->Gly extracellular superoxide dismutase (EC-SOD) in plasma is caused by a reduction of both heparin and collagen affinities. Biochemical Journal, 385, 427-432.

Bergström, L. M., Skoglund, S., Danerlöv, K., Garamus, V. M. & Pedersen, J. S. (2011). The growth of micelles, and the transition to bilayers, in mixtures of a single-chain and a double-chain cationic surfactant investigated with small-angle neutron scattering. Soft Matter, 7(22), 10935-10944. https://doi.org/10.1039/C1SM05760J

Bykov, D. & Kjaergaard, T. (2017). The GPU-enabled divide-expand-consolidate RI-MP2 method (DEC-RI-MP2). Journal of Computational Chemistry, 38(4), 228-237. https://doi.org/10.1002/jcc.24678

Lucas, P., Pries, J., Wei, S. & Wuttig, M. (2022). The glass transition of water, insight from phase change materials. Journal of Non-Crystalline Solids: X, 14, Artikel 100084. https://doi.org/10.1016/j.nocx.2022.100084

Khan, N., Aslan, H., Büttner, H., Rohde, H., Golbek, T. W., Roeters, S. J., Woutersen, S., Weidner, T. & Meyer, R. L. (2022). The giant staphylococcal protein Embp facilitates colonization of surfaces through Velcro-like attachment to fibrillated fibronectin. eLife, 11, Artikel e76164. https://doi.org/10.7554/elife.76164

Fleig, T., Olsen, J. & Marian, C. M. (2001). The generalized active space concept for the relativistic treatment ofelectron correlation. I. Kramers-restricted two-component configuration interaction. J. Chem. Phys. B.

Mi, J.-L., Nørby, P., Bremholm, M., Becker, J. & Iversen, B. B. (2015). The formation mechanism of bimetallic PtRu alloy nanoparticles in solvothermal synthesis. Nanoscale, 7(39), 16170-16174. https://doi.org/10.1039/c5nr04459f

Ogilby, P. R., Kristiansen, M., Martire, D. O., Scurlock, R. D., Taylor, V. L. & Clough, R. L. (1993). The Formation and Removal of Singlet (¹Δ_g) Oxygen in Solid Organic Polymers: Events that May Influence Polymer Photodegradation. Polymer Preprints, 34(2), 133-134.

Petersen, S. V., Kristensen, T., Petersen, J. S., Ramsgaard, L., Oury, T. D., Crapo, J. D., Nielsen, N. C. & Enghild, J. J. (2008). The folding of human aEC-sod and iEC-sod is an intracellular event. Journal of Biological Chemistry.

Petersen, S. V., Kristensen, T., Petersen, J. S., Ramsgaard, L., Oury, T., Crapo, J., Nielsen, N. C. & Enghild, J. J. (2008). The folding of human active and inactive extracellular superoxide dismutase is an intracellular event. Journal of Biological Chemistry, 283(22), 15031. https://doi.org/10.1074/jbc.M801548200

Juhl, K. & Jørgensen, K. A. (2003). The First Organocatalytic Enantioselective Inverse-Electron-Demand Hetero-Diels-Alder Reaction. Angewandte Chemie International Edition, 42, 1498-1501.

Johannsen, M., Yao, S.-L. & Jørgensen, K. A. (1997). The first Highly Enantioselective Catalytic Hetero Diels-Alder Reaction of Ketones. Chemical Communications, 2169.

Johannsen, M., Jørgensen, K. A. & Helmchen, G. (1998). The first Chiral and Highly Lewis Acidic Silyl Cationic Catalyst. Journal of the American Chemical Society, 120, 7637.

Wabnitz, T. C., Saaby, S. & Jørgensen, K. A. (2004). The first catalytic inverse-electron demand hetero-Diels-Alder reaction of nitroso alkenes using pyrrolidine as an organocatalyst. Organic and Biomolecular Chemistry, 2, 828-834.

Saaby, S., Nakama, K., Lie, M. A., Hazell, R. G. & Jørgensen, K. A. (2003). The First Catalytic Highly Enantioselective Alkylation of Ketimines - A Novel Approach to Optically Active Quaternary alpha-Amino Acids. Chemistry - A European Journal, 9, 6145-6154.

Knudsen, K. R., Risgaard, T., Nishiwaki, N., Gothelf, K. V. & Jørgensen, K. A. (2001). The First Catalytic Asymmetric Aza-Henry Reaction of Nitronates with Imines - A Novel Approach to Optically Active β-Nitro-α-Amino Acid- and α,β-Diamino Acid Derivatives. Journal of the American Chemical Society, 123.

Britz, D., Shah, D. A. & Antonia, R. A. (1988). The fine-scale intermittency of turbulence. Physics of Fluids, 31, 1431-1438.

Rasmussen, T. H., Wang, Y. M., Kjærgaard, T. & Kristensen, K. (2016). The explicitly correlated same number of optimized parameters (SNOOP-F12) scheme for calculating intermolecular interaction energies. The Journal of Chemical Physics, 144(20), Artikel 204102. https://doi.org/10.1063/1.4950846

Overgaard, J. & Hibbs, D. E. (2004). The experimental electron density in polymorphs A and B of the anti-ulcer drug famotidine. Acta Crystallographica Section A: Foundations and Advances, 60, 480-487.

Fehér, B., Wacha, A., Jezsó, B., Bóta, A., Pedersen, J. S. & Varga, I. (2023). The evolution of equilibrium poly(styrene sulfonate) and dodecyl trimethylammonium bromide supramolecular structure in dilute aqueous solution with increasing surfactant binding. Journal of Colloid and Interface Science, 651, 992-1007. https://doi.org/10.1016/j.jcis.2023.08.002

Larsen, R. W., Pawlowski, F., Hegelund, F., Jørgensen, P., Gauss, J. & Nelander, B. (2003). The equilibrium structure of trans-glyoxal from experimental rotational constants and calculated vibration-rotation interaction constants. Physical Chemistry Chemical Physics, 5, 5031-5037.

Coriani, S., Haaland, A., Helgaker, T. & Jørgensen, P. (2006). The Equilibrium Structure of Ferrocene. ChemPhysChem, 7, 245-249.

Nygaard, C. R. & Olsen, J. (2013). The energy, orbitals and electric properties of the ozone molecule with ensemble density functional theory. Molecular Physics, 111(9-11), 1259-1270. https://doi.org/10.1080/00268976.2013.810792

Bianchi, M., Hatch, R., Guan, D., Planke, T., Mi, J., Iversen, B. B. & Hofmann, P. (2012). The electronic structure of clean and adsorbate-covered Bi2Se3: an angle-resolved photoemission study. Semiconductor Science and Technology, 27. https://doi.org/10.1088/0268-1242/27/12/124001

Osted, A., Kongsted, J., Mikkelsen, K. V. & Christiansen, O. (2006). The electronic spectrum of the micro solvated Alanine zwitter ion calculated using the combined coupled cluster/molecular mechanics method. Chem. Phys. Letters, 429, 430-435.

Christiansen, O., Gauss, J., Stanton, J. F. & Jørgensen, P. (1999). The electronic spectrum of pyrrole. Journal of Chemical Physics, 111(2), Artikel 525. https://doi.org/10.1063/1.479332

Christiansen, O. & Jørgensen, P. (1998). The electronic spectrum of furan. Journal of the American Chemical Society, 120(14), 3423-3430. https://doi.org/10.1021/ja973437o

Grinderslev, J. B., Skibsted, J. & Jensen, T. R. (2025). The Effects of Nanoconfinement in LiBH₄·1/2CH₃NH₂-Al₂O₃ Composites. ACS Applied Energy Materials, 8(1), 298-305. https://doi.org/10.1021/acsaem.4c02360

Pedersen, B. L., Birkedal, H., Nygren, M., Frederiksen, P. T. & Iversen, B. B. (2009). The effect og Mg doping on the thermoelectric performance of Sn₄Sb₃. Journal of Applied Physics, 105, 013517-1-6.

Bieniasz, L. K., Østerby, O. & Britz, D. (1997). The effect of the discretization of the mixed boundary conditions on the numerical stability of the Crank-Nicolson algorithm of electrochemical kinetic simulations. Computers & Chemistry, 21(6), 391-401. https://doi.org/10.1016/S0097-8485(97)00033-8

Thomsen, D., Iversen, E. M., Skønager, J. T., Luo, Y., Li, L., Roldin, P., Priestley, M., Pedersen, H. B., Hallquist, M., Ehn, M., Bilde, M. & Glasius, M. (2024). The effect of temperature and relative humidity on secondary organic aerosol formation from ozonolysis of Δ³-carene. Environmental Science: Atmospheres, 4(1), 88-103. https://doi.org/10.1039/D3EA00128H

Kristensen, K., Jensen, L. N., Glasius, M. & Bilde, M. (2017). The effect of sub-zero temperature on the formation and composition of secondary organic aerosol from ozonolysis of alpha-pinene. Environmental Science: Processes and Impacts, 19(10), 1220-1234. https://doi.org/10.1039/c7em00231a

Leiszner, S. S., Perfetti, M., Damgaard-Møller, E., Chen, Y.-S. & Iversen, B. B. (2024). The effect of second coordination sphere interactions on the magnetic anisotropy of transition metals. Dalton Transactions, 53(48), 19246-19255. https://doi.org/10.1039/d4dt02873b

Åkesson, A., Bendtsen, K. M., Behrens, M. A., Pedersen, J. S., Alfredsson, V. & Cárdenas Gómez, M. (2010). The effect of PAMAM G6 dendrimers on the structure of lipid vesicles. Physical chemistry chemical physics : PCCP, 12(38), 12267-72. https://doi.org/10.1039/c0cp00172d

Lam, A. T., Faragó, E. P., Owen, M. C., Fiser, B., Jójárt, B., Jensen, S. K., Csizmadia, I. G. & Viskolcz, B. (2014). The effect of oxidative stress on the bursopentin peptide structure: a theoretical study. Physical Chemistry Chemical Physics, 16(20), 9602-9609. https://doi.org/10.1039/c3cp54799j

Macchi, F., Eisenkolb, M., Kiefer, H. & Otzen, D. (2012). The effect of osmolytes on protein fibrillation. International Journal of Molecular Sciences (Online), 13(3), 3801-3819. https://doi.org/10.3390/ijms13033801

Pedersen, B. L., Birkedal, H., Nygren, M., Frederiksen, P. T. & Iversen, B. B. (2007). The effect of Mg doping on the thermoelectric performance Of Zn4Sb3. I Proceedings ICT’07: XXVI international conference on thermoelectrics (s. 387-390)

Koch, H., Hättig, C., Larsen, H., Olsen, J., Jørgensen, P., Fernández, B. & Rizzo, A. (1999). The effect of intermolecular interactions on the electric properties of helium and argon. II. The dielectric, refractivity, Kerr, and hyperpolarizability second virial coefficients. Journal of Chemical Physics, 111(22), Artikel 10108. https://doi.org/10.1063/1.480362

Hättig, C., Larsen, H., Olsen, J., Jørgensen, P., Koch, H., Fernández, B. & Rizzo, A. (1999). The effect of intermolecular interactions on the electric properties of helium and argon. I. Ab initio calculation of the interaction induced polarizability and hyperpolarizability in He2 and Ar2. Journal of Chemical Physics, 111(22), 10099-10107. https://doi.org/10.1063/1.480361

Carlos, L., Cipollone, M., Soria, D. B., Moreno, M. S., Ogilby, P. R., Einschlag, F. S. G. & Martire, D. O. (2012). The effect of humic acid binding to magnetite nanoparticles on the photogeneration of reactive oxygen species. Separation and Purification Technology, 91, 23-29.

Price, T. E. C., Grant, D. M., Weston, D., Hansen, T., Bomholdt Ravnsbæk, D., Arnbjerg, L., Jensen, T. R. & Walker, G. S. (2011). The Effect of H₂ Partial Pressure on the Reaction Progression and Reversibility of Lithium-Containing Multicomponent Destabilized Hydrogen Storage Systems. Journal of the American Chemical Society, 133(34), 13534-13538. https://doi.org/10.1021/ja204381n

Ruud, K., Helgaker, T. & Jørgensen, P. (1997). The effect of correlation on molecular magnetizabilities and rotational g tensors. Journal of Chemical Physics, 107(24), Artikel 10599. https://doi.org/10.1063/1.474174

Christensen, M., Berglund, N. A. & Schiøtt, B. (2021). The Effect of Cholesterol on Membrane-Bound Islet Amyloid Polypeptide. Frontiers in Molecular Biosciences, 8, Artikel 657946. https://doi.org/10.3389/fmolb.2021.657946

Behrens, M. A., Lopez, M., Kjoniksen, A.-L., Zhu, K., Nystrom, B. & Pedersen, J. S. (2014). The effect of cationic and anionic blocks on temperature-induced micelle formation. Journal of Applied Crystallography, 47(1), 22-28. https://doi.org/10.1107/S1600576713030033

Skibsted, J. & Andersen, M. D. (2013). The effect of alkali ions on the incorporation of aluminum in the calcium silicate hydrate (C-S-H) phase resulting from Portland cement hydration studied by ²⁹Si MAS NMR. Journal of the American Ceramic Society, 96(2), 651-656. https://doi.org/10.1111/jace.12024

Klausen, F. B., Amidi, A., Kjærgaard, S. K., Schlünssen, V., Ravn, P., Østergaard, K., Gutzke, V. H., Glasius, M., Grønborg, T. K., Hansen, S. N., Zachariae, R., Wargocki, P. & Sigsgaard, T. (2023). The effect of air quality on sleep and cognitive performance in school children aged 10-12 years: a double-blinded, placebo-controlled, crossover trial. International Journal of Occupational Medicine and Environmental Health, 36(2), Artikel 156406. https://doi.org/10.13075/ijomeh.1896.02032

Kristensen, K., Kjærgaard, T., Høyvik, I.-M., Ettenhuber, P., Jørgensen, P., Jansik, B., Reine, S. & Jakowski, J. (2013). The divide–expand–consolidate MP2 scheme goes massively parallel. Molecular Physics, 111(9-11), 1196-1210. https://doi.org/10.1080/00268976.2013.783941

Høyvik, I.-M., Kristensen, K., Jørgensen, P. & Jansik, B. (2012). The divide-expand-consolidate family of coupled cluster methods: Numerical illustrations using second order Mo̸ller-Plesset perturbation theory. Journal of Chemical Physics, 136(014105).

Kjærgaard, T., Baudin, P., Bykov, D., Kristensen, K. & Jørgensen, P. (2017). The divide–expand–consolidate coupled cluster scheme. Wiley Interdisciplinary Reviews: Computational Molecular Science, 7(6), Artikel e1319. https://doi.org/10.1002/wcms.1319

Reinau, M. E., Thøgersen, I. B., Enghild, J. J., Nielsen, K. L. & Otzen, D. E. (2010). The diversity of FtsY-lipid interactions. Biopolymers, 93(7), 595-606. https://doi.org/10.1002/bip.21404

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Institut for Kemi