List of Publications

[recent] [2014] [2013] [2012] [2011] [2010 and earlier]



  • H. Arp, J. Baumgartner, C. Marschner, and T. Müller, "A Cyclic Disilylated Stannylene: Synthesis, Dimerization, and Adduct Formation" Journal of the American Chemical Society, vol. 133, iss. 15, p. 5632.
    doi: 10.1021/ja1100883
  • E. Asplund and T. Klüner, "Optimal Control of Open Quantum Systems Applied to the Photochemistry of Surfaces" Physical Review Letters, vol. 106, iss. 14, p. 140404.
    doi: 10.1103/physrevlett.106.140404
  • F. Behler, F. Habecker, W. Saak, T. Klüner, and J. Christoffers, "Synthesis of Benzo[c]azocanones and Indeno[1,2-b]pyrroles from Oxoindanecarboxylates" Eur. J. Org. Chem. vol. 2011, iss. 22, p. 4231.
    doi: 10.1002/ejoc.201100289
  • U. Betke, W. Dononelli, T. Klüner, and M. S. Wickleder, "ReO2Cl(S2O7), ein molekulares Disulfat" Angewandte Chemie, vol. 123, iss. 51, p. 12569.
    doi: 10.1002/ange.201105457
  • [article] bibtex
    G. Diaz Fleming, F. Celis, M. Campos-Vallette, A. E. Aliaga, M. Escobar, and R. Koch, "Raman, infrared, SERS and theoretical study of 3-(1-phenylpropan-2-ylamino) propanenitrile, fenproporex" Journal of Raman Spectroscopy, vol. 42, iss. 7.
    doi: 10.1002/jrs.2882
  • M. T. Gastner, B. Oborny, A. B. Ryabov, and B. Blasius, "Changes in the Gradient Percolation Transition Caused by an Allee Effect" Physical Review Letters, vol. 106, iss. 12, p. 128103.
    doi: 10.1103/physrevlett.106.128103
  • [article] bibtex
    R. Koch, "The SAMP alkylation: A computational study" Organic & Biomolecular Chemistry, vol. 9, iss. 8.
    doi: 10.1039/c0ob01125h
  • [article] bibtex
    R. Koch, J. J. Finnerty, and C. Wentrup, "Rearrangements and Interconversions of Heteroatom-Substituted Isocyanates, Isothiocyanates, Nitrile Oxides, and Nitrile Sulfides, RX-NCY and RY-CNX" Journal of Organic Chemistry, vol. 76, iss. 15.
    doi: 10.1021/jo200593u
  • [article] bibtex
    R. Koch, A. S. Lipton, S. Filipek, and V. Renugopalakrishnan, "Arginine interactions with anatase TiO(2) (100) surface and the perturbation of (49)Ti NMR chemical shifts - a DFT investigation: relevance to Renu-Seeram bio solar cell" Journal of Molecular Modeling, vol. 17, iss. 6.
    doi: 10.1007/s00894-010-0853-y
  • C. Logemann, T. Klüner, and M. S. Wickleder, "The [Si(S2O7)3]2− Anion: A First Example of Octahedral Silicon Coordination by Three Chelating Inorganic Ligands" Chemistry – A European Journal, vol. 17, iss. 3.
    doi: 10.1002/chem.201002619
  • N. Lühmann, H. Hirao, S. Shaik, and T. Müller, "Disilylfluoronium Ions—Synthesis, Structure, and Bonding" Organometallics, vol. 30, iss. 15, p. 4087.
    doi: 10.1021/om2003128
  • M. Mehring and T. Klüner, "Understanding surface photochemistry from first principles: The case of CO–TiO2(110)" Chemical Physics Letters, vol. 513, iss. 4-6, p. 212.
    doi: 10.1016/j.cplett.2011.07.093
  • J. Mitschker and T. Klüner, "Adsorption and photodesorption of CO from single C60 molecules studied from first principles" Chemical Physics Letters, vol. 514, iss. 1-3, p. 83.
    doi: 10.1016/j.cplett.2011.08.013
  • L. V. Moskaleva, S. Röhe, A. Wittstock, V. Zielasek, T. Klüner, K. M. Neyman, and M. Bäumer, "Silver residues as a possible key to a remarkable oxidative catalytic activity of nanoporous gold" Physical Chemistry Chemical Physics, vol. 13, iss. 10, p. 4529.
    doi: 10.1039/c0cp02372h
  • T. W. T. Muesmann, C. Zitzer, A. Mietrach, T. Klüner, J. Christoffers, and M. S. Wickleder, "Para-Benzene disulfonic acid and its tetrachloro and tetrafluoro derivatives—studies towards polyhalogenated metal–organic-frameworks with sulfo analogues of terephthalic acid" Dalton Transactions, vol. 40, iss. 13, p. 3128.
    doi: 10.1039/c0dt01223h
  • N. Naue, S. Rach, D. Struber, R. J. Huster, T. Zaehle, U. Korner, and C. S. Herrmann, "Auditory Event-Related Response in Visual Cortex Modulates Subsequent Visual Responses in Humans" Journal of Neuroscience, vol. 31, iss. 21, p. 7729.
    doi: 10.1523/jneurosci.1076-11.2011
  • I. Prochnow, P. Zark, T. Müller, and S. Doye, "The Mechanism of the Titanium-Catalyzed Hydroaminoalkylation of Alkenes" Angewandte Chemie International Edition, vol. 50, iss. 28, p. 6401.
    doi: 10.1002/anie.201101239
  • A. B. Ryabov and B. Blasius, "A graphical theory of competition on spatial resource gradients" Ecology Letters, vol. 14, iss. 3, p. 220.
    doi: 10.1111/j.1461-0248.2010.01574.x
  • A. Schäfer, W. Saak, D. Haase, and T. Müller, "Persistent Dialkyl(silyl)stannylium Ions" Journal of the American Chemical Society, vol. 133, iss. 37, p. 14562.
    doi: 10.1021/ja206338u
  • A. Schäfer, M. Reißmann, A. Schäfer, W. Saak, D. Haase, and T. Müller, "A New Synthesis of Triarylsilylium Ions and Their Application in Dihydrogen Activation" Angewandte Chemie International Edition, vol. 50, iss. 52, p. 12636.
    doi: 10.1002/anie.201106582
  • A. Schäfer, F. Winter, W. Saak, D. Haase, R. Pöttgen, and T. Müller, "Stannylium Ions, a Tin(II) Arene Complex, and a Tin Dication Stabilized by Weakly Coordinating Anions" Chem. Eur. J. vol. 17, iss. 39, p. 10979.
    doi: 10.1002/chem.201101938
  • [article] bibtex
    C. Wentrup, J. J. Finnerty, and R. Koch, "Amino-, Alkoxy-, and Alkylthio-Isocyanates and -Isothiocyanates, RX-NCY, their Isomers RX-YCN and RX-CNY, and their Rearrangements" Current Organic Chemistry, vol. 15, iss. 11.
  • W. Yim and T. Klüner, "Lattice Stability of Si[100] Wires From First Principles" The Journal of Physical Chemistry C, vol. 115, iss. 8, p. 3286.
    doi: 10.1021/jp110500d
  • H. Zech, C. Echtermeyer, L. Wöhlbrand, B. Blasius, and R. Rabus, "Biological versus technical variability in 2-D DIGE experiments with environmental bacteria" Proteomics, vol. 11, iss. 16, p. 3380.
    doi: 10.1002/pmic.201100071
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