Publikationer

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Publikationer fra Institut for Kemi

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Linderberg, J. (2012). Orbital Models and Electronic Structure Theory. Structure and Bonding, 143, 39-52.

Allred, J. M., Jia, S., Bremholm, M., Chan, B. C. & Cava, R. J. (2012). Ordered CoSn-type ternary phases in Co3Sn3-xGex. Journal of Alloys and Compounds, 539, 137-143. https://doi.org/10.1016/j.jallcom.2012.04.045

Coote, S. C., Flowers II, R. A., Skrydstrup, T. & Procter, D. J. (2012). Organic Synthesis Using Samarium Diiodide. I C. Chatgilialoglu & A. Studer (red.), Encyclopedia of Radicals in Chemistry, Biology and Materials: Basic Concepts and Methodologies (s. 849-900). John Wiley & Sons Ltd. https://doi.org/10.1002/9781119953678.rad025

Jiang, H., Rodríguez-Escrich, C., Johansen, T. K., Davis, R. & Jørgensen, K. A. (2012). Organocatalytic Activation of Polycyclic Aromatic Compounds for Asymmetric Diels-Alder Reactions. Angewandte Chemie International Edition, 51(41), 10271–10274. https://doi.org/10.1002/anie.201205836

Albrecht, L. K., Ransborg, L. K. & Jørgensen, K. A. (2012). Organocatalytic synthesis of optically active heteroaromatic compounds. Catalysis Science & Technology, 2(6), 1089-1098. https://doi.org/10.1039/c2cy20101a

Albrecht, A., Morana, F., Fraile Carrasco, A. & Jørgensen, K. A. (2012). Organophosphorus Reagents in Organocatalysis: Synthesis of Optically Active α-Methylene-δ-lactones and δ-Lactams. Chemistry - A European Journal, 18(33), 10348–10354. https://doi.org/10.1002/chem.201201325

Kristensen, K., Hansen, A. M. K. & Glasius, M. (2012). Organosulfater af isopren og monoterpener. Dansk Kemi, 93(8), 16-19.

Zhang, H., Worton, D. R., Lewandowski, M., Ortega, J., Rubitschun, C. L., Park, J.-H., Kristensen, K., Campuzano-Jost, P., Day, D. A., Jimenez, J. L., Jaoui, M., Offenberg, J. H., Kleindienst, T. E., Gilman, J., Kuster, W. C., de Gouw, J., Park, C., Schade, G. W., Frossard, A. A. ... Surratt, J. D. (2012). Organosulfates as tracers for secondary organic aerosol (SOA) formation from 2-methyl-3-buten-2-ol (MBO) in the atmosphere. Environmental Science & Technology, 46(17), 9437-46. https://doi.org/10.1021/es301648z

Hansen, J. L., Holmegaard, L., Nielsen, J. H., Stapelfeldt, H., Dimitrovski, D. & Madsen, L. B. (2012). Orientation-dependent ionization yields from strong-field ionization of fixed-in-space linear and asymmetric top molecules. Journal of Physics B: Atomic, Molecular and Optical Physics, 45, 015101. https://doi.org/10.1088/0953-4075/45/1/015101

Schlafer, S., Raarup, M. K., Wejse, P. L., Nyvad, B., Stadler, B. M., Sutherland, D. S., Birkedal, H. & Meyer, R. L. (2012). Osteopontin Reduces Biofilm Formation in a Multi-Species Model of Dental Biofilm. PLoS One, 7(8), e41534. https://doi.org/10.1371/journal.pone.0041534

Gøgsig, T., Nielsen, D. U., Lindhardt, A. T. & Skrydstrup, T. (2012). Palladium Catalyzed Carbonylative Heck Reaction Affording Monoprotected 1,3-Ketoaldehydes. Organic Letters, 14(10), 2536-2539. https://doi.org/10.1021/ol300837d

Gøgsig, T., Taaning, R. H., Lindhardt, A. T. & Skrydstrup, T. (2012). Palladium-Catalyzed Carbonylative α-Arylation for Accessing 1,3-Diketones. Angewandte Chemie International Edition, 51(3), 798-801. https://doi.org/10.1002/anie.201107494

Nielsen, D. U., Neumann, K. T., Taaning, R. H., Lindhardt, A. T., Modvig, A. & Skrydstrup, T. (2012). Palladium-Catalyzed Double Carbonylation Using Near Stoichiometric Carbon Monoxide: Expedient Access to Substituted 13C2-Labeled Phenethylamines. Journal of Organic Chemistry, 77. https://doi.org/10.1021/jo3009337

Bjerglund, K. M., Lindhardt, A. T. & Skrydstrup, T. (2012). Palladium-Catalyzed N-Acylation of Monosubstituted Ureas Using Near-Stoichiometric Carbon Monoxide. Journal of Organic Chemistry, 77(8), 3793-3799. https://doi.org/10.1021/jo3000767

List, N. H., Olsen, J. M. H., Rocha-Rinza, T., Christiansen, O. & Kongsted, J. (2012). Performance of Popular XC-Functionals for the Description of Excitation Energies in GFP-Like Chromophore Models. International Journal of Quantum Chemistry, 112(3), 789-800. https://doi.org/10.1002/qua.23059

Schwabe, T., Sneskov, K., Olsen, J. M. H., Kongsted, J., Christiansen, O. & Hättig, C. (2012). PERI-CC2: a polarizable embedded RI-CC2 method. Journal of Chemical Theory and Computation. https://doi.org/10.1021/ct3003749

Song, S., Cheong, L.-Z., Guo, Z., Kristensen, K., Glasius, M., Jensen, H. M., Bertelsen , K., Tan, T. & Xu, X. (2012). Phospholipase D (PLD) catalyzed synthesis of phosphatidyl-glucose in biphasic reaction system. Food Chemistry, 135(2), 373–379. https://doi.org/10.1016/j.foodchem.2012.05.020

Jensen, F. (2012). Polarization Consistent Basis Sets. VII. The Elements K, Ca, Ga, Ge, As, Se, Br and Kr. Journal of Chemical Physics, 136(11). https://doi.org/10.1063/1.3690460

Andreasen, M., Nielsen, S. B., Runager, K., Christiansen, G., Nielsen, N. C., Enghild, J. J. & Otzen, D. (2012). Polymorphic Fibrillation of the Destabilized Fourth Fasciclin-1 Domain Mutant A₅₄6T of the Transforming Growth Factor-β-induced Protein (TGFBIp) Occurs through Multiple Pathways with Different Oligomeric Intermediates. Journal of Biological Chemistry, 287(41), 34730-34742. https://doi.org/10.1074/jbc.M112.379552

Cerny, R., Bomholdt Ravnsbæk, D., Schouwink, P., Filinchuk, Y., Penin, N., Teyssier, J., Smrcok, L. & Jensen, T. R. (2012). Potassium Zinc Borohydrides Containing Triangular [Zn(BH4)3]- and Tetrahedral [Zn(BH4)xCl4-x]2- Anions. The Journal of Physical Chemistry Part C, 116, 1563–1571. https://doi.org/10.1021/jp209848r

Pedersen, L. R. L., Nielsen, S. B., Hansted, J. G., Petersen, T. E., Otzen, D. E. & Sørensen, E. S. (2012). PP3 forms stable tetrameric structures through hydrophobic interactions via the C-terminal amphipathic helix and undergoes reversible thermal dissociation and denaturation. FEBS journal, 279(2), 336-47. https://doi.org/10.1111/j.1742-4658.2011.08428.x

Fujiwara, Y., A. Dixon, J., O’Hara, F., Funder, E. D., D. Dixon, D., A. Rodriguez, R., D. Baxter, R., Herlé, B., Sach, N., R. Collins, M., Ishihara, Y. & S. Baran, P. (2012). Practical and innate carbon–hydrogen functionalization of heterocycles. Nature, 492(7427), 95-99. https://doi.org/10.1038/nature11680

Keller, A. C., Bald, I., Rotaru, A., Cauët, E., Gothelf, K. V. & Besenbacher, F. (2012). Probing Electron-Induced Bond Cleavage at the Single-Molecule Level Using DNA Origami Templates. A C S Nano, 6(5), 4392-4399. https://doi.org/10.1021/nn3010747

Pedersen, L. R. L., Hansted, J. G., Nielsen, S. B., Petersen, T. E., Sørensen, U. S., Otzen, D. & Sørensen, E. S. (2012). Proteolytic activation of proteose peptone component 3 by release of a C-terminal peptide with antibacterial properties. Journal of Dairy Science, 95(6), 2819-2829. https://doi.org/10.3168/jds.2011-4837

Gansäuer, A., Knebel, K., Kube, C., van Gastel, M., Cangönül, A., Daasbjerg, K., Hangele, T., Hülsen, M., Dolg, M. & Friedrich, J. (2012). Radical 4-exo Cyclizations via Template Catalysis. Chemistry - A European Journal, 18(9), 2591-2599. https://doi.org/10.1002/chem.201102959

Laumann, A., Bremholm, M., Hald, P., Holzapfel, M., Fehr, T. & Iversen, B. B. (2012). Rapid green continuous flow supercritical synthesis of high performance Li4Ti5O12 nanocrystals for Li ion battery applications. Journal of The Electrochemical Society, 159(2), 166-171. https://doi.org/10.1149/2.084202jes

Mi, J., Clausen, C., Bremholm, M., Lock, N., Jensen, K. M. Ø., Christensen, M. & Iversen, B. B. (2012). Rapid Hydrothermal Preparation of Rutile TiO₂ Nanoparticles by Simultaneous Transformation of Primary Brookite and Anatase: An in Situ Synchrotron PXRD Study. Crystal Growth & Design, 12(12), 6092−6097. https://doi.org/10.1021/cg301230w

Bjerring, M. M., Jensen, B. P., Oschkinat, H. H., Akbey, U. & Nielsen, N. C. (2012). Rapid solid-state NMR of deuterated proteins by interleaved cross-polarization from ¹ H and ² H nuclei. Journal of Magnetic Resonance, 214, 324-328. https://doi.org/10.1016/j.jmr.2011.10.020

Jensen, R. L., Arnbjerg, J. & Ogilby, P. R. (2012). Reaction of Singlet Oxygen with Tryptophan in Proteins: A Pronounced Effect of the Local Environment on the Reaction Rate. Journal of the American Chemical Society, 134, 9820-9826.

Helgaker, T., Coriani, S., Jørgensen, P., Kristensen, K., Olsen, J. & Ruud, K. (2012). Recent Advances in Wave Function-Based Methods of Molecular-Property Calculations. Chemical Reviews, 112(543).

Bousquet, A., Ceccato, M., Hinge, M., Pedersen, S. U. & Daasbjerg, K. (2012). Redox Grafting of Diazotated Anthraquinone as a Means of Forming Thick Conducting Organic Films. Langmuir, 28, 1267-1275.

Vinther, J. M., Nielsen, A. B., Bjerring, M., van Eck, E., Kentgens, A., Khaneja, N. & Nielsen, N. C. (2012). Refocused continuous-wave decoupling: A new approach to heteronuclear dipolar decoupling in solid-state NMR spectroscopy. Journal of Chemical Physics, 137(21), 214202. https://doi.org/10.1063/1.4768953

Min, G. & Skrydstrup, T. (2012). Regioselective Rh(I)-Catalyzed Sequential Hydrosilylation toward the Assembly of Silicon-Based Peptidomimetic Analogues. Journal of Organic Chemistry, 77(14), 5894-5906. https://doi.org/10.1021/jo300904z

Bundgaard, E., Hagemann, O., Bjerring, M., Nielsen, N. C., Andreasen, J. W., Andreasen, B. & Krebs, F. C. (2012). Removal of Solubilizing Side Chains at Low Temperature: A New Route to Native Poly(thiophene). Macromolecules, 45(8), 3644-3646. https://doi.org/10.1021/ma300075x

Rizzo, A., Coriani, S. & Ruud, K. (2012). Response Function Theory Computational Approaches to Linear and Nonlinear Optical Spectroscopy. I Computational Strategies for Spectroscopy. From Small Molecules to Nanosystems. Editor: V. Barone (s. 77-135). John Wiley & Sons Ltd.

Saleh, G., Gatti, C., Lo Presti, L. & Contreras-García, J. (2012). Revealing Non-covalent Interactions in Molecular Crystals through Their Experimental Electron Densities. Chemistry - A European Journal, 18(48), 15523-15536. https://doi.org/10.1002/chem.201201290

Jensen, K. M. Ø., Christensen, M., Juhas, P., Tyrsted, C., Bøjesen, E. D., Lock, N., Billinge, S. J. L. & Iversen, B. B. (2012). Revealing the Mechanisms behind SnO₂ Nanoparticle Formation and Growth during Hydrothermal Synthesis: An In Situ Total Scattering Study. Journal of the American Chemical Society, 134(15), 6785-6792. https://doi.org/10.1021/ja300978f

Bianchi, M., Hatch, R., Li, Z., Hofmann, P., Song, F., Mi, J., Iversen, B. B., El-Fattah, Z. M. A., Löptien, P., Zhou, L., Khajetoorians, A. A., Weibe, J., Wiesendanger, R. & Wells, J. W. (2012). Robust Surface Doping of Bi₂Se₃ by Rubidium Intercalation. A C S Nano, 6(8), 7009-7015. https://doi.org/10.1021/nn3021822

Kalashnyk, N., Nielsen, J. T., Nielsen, E. H., Skrydstrup, T., Otzen, D., Lægsgaard, E., Wang, C., Besenbacher, F., Nielsen, N. C. & Linderoth, T. R. (2012). Scanning tunneling microscopy reveals single-molecule insights into the self-assembly of amyloid fibrils. A C S Nano, 6(8), 6882-6889. https://doi.org/10.1021/nn301708d

Bomholdt Ravnsbæk, D., Houkjær Sørensen, L., Filinchuk, Y., Besenbacher, F. & Jensen, T. R. (2012). Screening of metal borohydrides by mechanochemistry and diffraction. Angewandte Chemie International Edition, 51(15), 3582-3586. https://doi.org/10.1002/anie.201106661

Christiansen, O. (2012). Selected new developments in vibrational structure theory: potential construction and vibrational wave function calculations. Physical Chemistry Chemical Physics, 14(19), 6672-6687. https://doi.org/10.1039/C2CP40090A

Jensen, K. L., Weise, C. F., Dickmeiss, G., Morana, F., Davis, R. & Jørgensen, K. A. (2012). Selective Access to Both Diastereoisomers in an Enantioselective Intramolecular Michael Reaction by Using a Single Chiral Organocatalyst and Application in the Formal Total Synthesis of (-)-Epibatidine. Chemistry - A European Journal, 18(38), 11913–11918. https://doi.org/10.1002/chem.201202353

Quinones, J. P., Gothelf, K. V., Kjems, J., Caballero, A. M. H., Schmidt, C. & Covas, C. P. (2012). Self-assembled nanoparticles of glycol chitosan – Ergocalciferol succinate conjugate, for controlled release. Carbohydrate Polymers, 88(4), 1373-1377. https://doi.org/10.1016/j.carbpol.2012.02.039

Nielsen, A. B., Nielsen, N. C., Gath, J., Székely, K., Ernst, M. & Meier, B. H. (2012). Simultaneous acquisition of PAR and PAIN spectra. Journal of Biomolecular N M R, Volume 52(Issue 4), 283-288. https://doi.org/10.1007/s10858-012-9616-7

Pimenta, F. M., Jensen, R. L., Holmegaard, L., Esipova, T. V., Westberg, M., Breitenbach, T. & Ogilby, P. R. (2012). Singlet-Oxygen-Mediated Cell Death Using Spatially-Localized Two-Photon Excitation of an Extracellular Sensitizer. Journal of Physical Chemistry Part B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical, 116(34), 10234-10246. https://doi.org/10.1021/jp304954m

Tran, T. T., Herfort, D., Jakobsen, H. J. & Skibsted, J. (2012). Site Preferences of F-, Al3+ and Fe3+ Guest Ions in the Calcium Silicate Phases of Portland cement from Solid-State NMR Spectroscopy (in russian). Cement and its applications, issue 6 for 2011(p. 54-58).

Behrens, M. A., Kjøniksen, A.-L., Zhu, K., Nyström, B. & Pedersen, J. S. (2012). Small-Angle X-ray Scattering Study of Charged Triblock Copolymers as a Function of Polymer Concentration, Temperature, and Charge Screening. Macromolecules, 45(1), 246-255. https://doi.org/10.1021/ma2016216

Behrens, M. A., He, Y., Oliveira, C. L. P., Andersen, G. R., Pedersen, J. S. & Nielsen, K. H. (2012). Structural Analysis of RNA Helicases with Small-Angle X-ray Scattering. Methods in Enzymology, 511, 191-212. https://doi.org/10.1016/B978-0-12-396546-2.00031-0

Manka, S. W., Carafoli, F., Visse, R., Bihan, D., Raynal, N., Farndale, R. W., Murphy, G., Enghild, J. J., Hohenester, E. & Nagase, H. (2012). Structural insights into triple-helical collagen cleavage by matrix metalloproteinase 1. Proceedings of the National Academy of Sciences (PNAS), 109(31), 12461-12466. https://doi.org/10.1073/pnas.1204991109

Behrens, M. A., Lopez, M., Kjøniksen, A.-L., Zhu, K., Nyström, B. & Pedersen, J. S. (2012). Structure and interactions of charged triblock copolymers studied by small-angle X-ray scattering: Dependence on temperature and charge screening. Langmuir, 28(2), 1105-1114. https://doi.org/10.1021/la202841q

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