2011

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, 2011.
    doi: 10.1021/ja1100883
    @ARTICLE{Arp_2011,
      author = {Arp, Henning and Baumgartner, Judith and Marschner, Christoph and Müller, Thomas},
      title = {A Cyclic Disilylated Stannylene: Synthesis, Dimerization, and Adduct Formation},
      journal = {Journal of the American Chemical Society},
      year = {2011},
      volume = {133},
      pages = {5632–5635},
      number = {15},
      month = {Apr},
      doi = {10.1021/ja1100883},
      issn = {1520-5126},
      publisher = {American Chemical Society (ACS)},
      url = {http://dx.doi.org/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, 2011.
    doi: 10.1103/physrevlett.106.140404
    @ARTICLE{Asplund_2011,
      author = {Asplund, Erik and Klüner, Thorsten},
      title = {Optimal Control of Open Quantum Systems Applied to the Photochemistry of Surfaces},
      journal = {Physical Review Letters},
      year = {2011},
      volume = {106},
      pages = {140404},
      number = {14},
      month = {Apr},
      doi = {10.1103/physrevlett.106.140404},
      issn = {1079-7114},
      publisher = {American Physical Society (APS)},
      url = {http://dx.doi.org/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, 2011.
    doi: 10.1002/ejoc.201100289
    @ARTICLE{Behler_2011,
      author = {Behler, Florian and Habecker, Florian and Saak, Wolfgang and Klüner, Thorsten and Christoffers, Jens},
      title = {Synthesis of Benzo[c]azocanones and Indeno[1,2-b]pyrroles from Oxoindanecarboxylates},
      journal = {Eur. J. Org. Chem.},
      year = {2011},
      volume = {2011},
      pages = {4231–4240},
      number = {22},
      month = {May},
      doi = {10.1002/ejoc.201100289},
      issn = {1434-193X},
      publisher = {Wiley-Blackwell},
      url = {http://dx.doi.org/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, 2011.
    doi: 10.1002/ange.201105457
    @ARTICLE{Betke_2011,
      author = {Betke, Ulf and Dononelli, Wilke and Klüner, Thorsten and Wickleder, Mathias S.},
      title = {ReO2Cl(S2O7), ein molekulares Disulfat},
      journal = {Angewandte Chemie},
      year = {2011},
      volume = {123},
      pages = {12569–12571},
      number = {51},
      month = {Oct},
      doi = {10.1002/ange.201105457},
      issn = {0044-8249},
      publisher = {Wiley-Blackwell},
      url = {http://dx.doi.org/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, 2011.
    doi: 10.1002/jrs.2882
    @ARTICLE{DiazFleming2011,
      author = {Diaz Fleming, Guillermo and Celis, Freddy and Campos-Vallette, Marcelo and Aliaga, Alvaro E. and Escobar, Marcela and Koch, Rainer},
      title = {Raman, infrared, SERS and theoretical study of 3-(1-phenylpropan-2-ylamino) propanenitrile, fenproporex},
      journal = {Journal of Raman Spectroscopy},
      year = {2011},
      volume = {42},
      pages = {1497-1504},
      number = {7},
      doi = {10.1002/jrs.2882},
      type = {Journal Article} }
  • 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, 2011.
    doi: 10.1103/physrevlett.106.128103
    @ARTICLE{Gastner_2011,
      author = {Gastner, Michael T. and Oborny, Beata and Ryabov, Alexey B. and Blasius, Bernd},
      title = {Changes in the Gradient Percolation Transition Caused by an Allee Effect},
      journal = {Physical Review Letters},
      year = {2011},
      volume = {106},
      pages = {128103},
      number = {12},
      month = {Mar},
      doi = {10.1103/physrevlett.106.128103},
      issn = {1079-7114},
      publisher = {American Physical Society (APS)},
      url = {http://dx.doi.org/10.1103/PhysRevLett.106.128103} }
  • [article] bibtex
    R. Koch, "The SAMP alkylation: A computational study" Organic & Biomolecular Chemistry, vol. 9, iss. 8, 2011.
    doi: 10.1039/c0ob01125h
    @ARTICLE{Koch2011,
      author = {Koch, Rainer},
      title = {The SAMP alkylation: A computational study},
      journal = {Organic \& Biomolecular Chemistry},
      year = {2011},
      volume = {9},
      pages = {2885-2891},
      number = {8},
      doi = {10.1039/c0ob01125h},
      type = {Journal Article} }
  • [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, 2011.
    doi: 10.1021/jo200593u
    @ARTICLE{Koch2011a,
      author = {Koch, Rainer and Finnerty, Justin J. and Wentrup, Curt},
      title = {Rearrangements and Interconversions of Heteroatom-Substituted Isocyanates, Isothiocyanates, Nitrile Oxides, and Nitrile Sulfides, RX-NCY and RY-CNX},
      journal = {Journal of Organic Chemistry},
      year = {2011},
      volume = {76},
      pages = {6024-6029},
      number = {15},
      doi = {10.1021/jo200593u},
      type = {Journal Article} }
  • [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, 2011.
    doi: 10.1007/s00894-010-0853-y
    @ARTICLE{Koch2011b,
      author = {Koch, Rainer and Lipton, Andrew S. and Filipek, Slawomir and Renugopalakrishnan, Venkatesan},
      title = {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 = {Journal of Molecular Modeling},
      year = {2011},
      volume = {17},
      pages = {1467-1472},
      number = {6},
      doi = {10.1007/s00894-010-0853-y},
      type = {Journal Article} }
  • 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, 2011.
    doi: 10.1002/chem.201002619
    @ARTICLE{CHEM:CHEM201002619,
      author = {Logemann, Christian and Klüner, Thorsten and Wickleder, Mathias S.},
      title = {The [Si(S2O7)3]2− Anion: A First Example of Octahedral Silicon Coordination by Three Chelating Inorganic Ligands},
      journal = {Chemistry – A European Journal},
      year = {2011},
      volume = {17},
      pages = {758--760},
      number = {3},
      doi = {10.1002/chem.201002619},
      issn = {1521-3765},
      keywords = {crystal growth, disulfates, hypervalent compounds, silicates, solid-state structures},
      owner = {harfst},
      publisher = {WILEY-VCH Verlag},
      timestamp = {2015.08.19},
      url = {http://dx.doi.org/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, 2011.
    doi: 10.1021/om2003128
    @ARTICLE{Lu_hmann_2011,
      author = {Lühmann, Nicole and Hirao, Hajime and Shaik, Sason and Müller, Thomas},
      title = {Disilylfluoronium Ions—Synthesis, Structure, and Bonding},
      journal = {Organometallics},
      year = {2011},
      volume = {30},
      pages = {4087–4096},
      number = {15},
      month = {Aug},
      doi = {10.1021/om2003128},
      issn = {1520-6041},
      publisher = {American Chemical Society (ACS)},
      url = {http://dx.doi.org/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, 2011.
    doi: 10.1016/j.cplett.2011.07.093
    @ARTICLE{Mehring_2011,
      author = {Mehring, Matthias and Klüner, Thorsten},
      title = {Understanding surface photochemistry from first principles: The case of CO–TiO2(110)},
      journal = {Chemical Physics Letters},
      year = {2011},
      volume = {513},
      pages = {212–217},
      number = {4-6},
      month = {Sep},
      doi = {10.1016/j.cplett.2011.07.093},
      issn = {0009-2614},
      publisher = {Elsevier BV},
      url = {http://dx.doi.org/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, 2011.
    doi: 10.1016/j.cplett.2011.08.013
    @ARTICLE{Mitschker_2011,
      author = {Mitschker, Jan and Klüner, Thorsten},
      title = {Adsorption and photodesorption of CO from single C60 molecules studied from first principles},
      journal = {Chemical Physics Letters},
      year = {2011},
      volume = {514},
      pages = {83–87},
      number = {1-3},
      month = {Sep},
      doi = {10.1016/j.cplett.2011.08.013},
      issn = {0009-2614},
      publisher = {Elsevier BV},
      url = {http://dx.doi.org/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, 2011.
    doi: 10.1039/c0cp02372h
    @ARTICLE{Moskaleva_2011,
      author = {Moskaleva, Lyudmila V. and Röhe, Sarah and Wittstock, Arne and Zielasek, Volkmar and Klüner, Thorsten and Neyman, Konstantin M. and Bäumer, Marcus},
      title = {Silver residues as a possible key to a remarkable oxidative catalytic activity of nanoporous gold},
      journal = {Physical Chemistry Chemical Physics},
      year = {2011},
      volume = {13},
      pages = {4529},
      number = {10},
      doi = {10.1039/c0cp02372h},
      issn = {1463-9084},
      publisher = {Royal Society of Chemistry (RSC)},
      url = {http://dx.doi.org/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, 2011.
    doi: 10.1039/c0dt01223h
    @ARTICLE{Muesmann_2011,
      author = {Muesmann, Thomas W. T. and Zitzer, Christina and Mietrach, Andrea and Klüner, Thorsten and Christoffers, Jens and Wickleder, Mathias S.},
      title = {para-Benzene disulfonic acid and its tetrachloro and tetrafluoro derivatives—studies towards polyhalogenated metal–organic-frameworks with sulfo analogues of terephthalic acid},
      journal = {Dalton Transactions},
      year = {2011},
      volume = {40},
      pages = {3128},
      number = {13},
      doi = {10.1039/c0dt01223h},
      issn = {1477-9234},
      publisher = {Royal Society of Chemistry (RSC)},
      url = {http://dx.doi.org/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, 2011.
    doi: 10.1523/jneurosci.1076-11.2011
    @ARTICLE{Naue_2011,
      author = {Naue, N. and Rach, S. and Struber, D. and Huster, R. J. and Zaehle, T. and Korner, U. and Herrmann, C. S.},
      title = {Auditory Event-Related Response in Visual Cortex Modulates Subsequent Visual Responses in Humans},
      journal = {Journal of Neuroscience},
      year = {2011},
      volume = {31},
      pages = {7729–7736},
      number = {21},
      month = {May},
      doi = {10.1523/jneurosci.1076-11.2011},
      issn = {1529-2401},
      publisher = {Society for Neuroscience},
      url = {http://dx.doi.org/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, 2011.
    doi: 10.1002/anie.201101239
    @ARTICLE{Prochnow_2011,
      author = {Prochnow, Insa and Zark, Patrick and Müller, Thomas and Doye, Sven},
      title = {The Mechanism of the Titanium-Catalyzed Hydroaminoalkylation of Alkenes},
      journal = {Angewandte Chemie International Edition},
      year = {2011},
      volume = {50},
      pages = {6401–6405},
      number = {28},
      month = {May},
      doi = {10.1002/anie.201101239},
      issn = {1433-7851},
      publisher = {Wiley-Blackwell},
      url = {http://dx.doi.org/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, 2011.
    doi: 10.1111/j.1461-0248.2010.01574.x
    @ARTICLE{Ryabov_2011,
      author = {Ryabov, Alexei B. and Blasius, Bernd},
      title = {A graphical theory of competition on spatial resource gradients},
      journal = {Ecology Letters},
      year = {2011},
      volume = {14},
      pages = {220–228},
      number = {3},
      month = {Jan},
      doi = {10.1111/j.1461-0248.2010.01574.x},
      issn = {1461-023X},
      publisher = {Wiley-Blackwell},
      url = {http://dx.doi.org/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, 2011.
    doi: 10.1021/ja206338u
    @ARTICLE{Scha_fer_2011,
      author = {Schäfer, Annemarie and Saak, Wolfgang and Haase, Detlev and Müller, Thomas},
      title = {Persistent Dialkyl(silyl)stannylium Ions},
      journal = {Journal of the American Chemical Society},
      year = {2011},
      volume = {133},
      pages = {14562–14565},
      number = {37},
      month = {Sep},
      doi = {10.1021/ja206338u},
      issn = {1520-5126},
      publisher = {American Chemical Society (ACS)},
      url = {http://dx.doi.org/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, 2011.
    doi: 10.1002/anie.201106582
    @ARTICLE{Sch_fer_2011,
      author = {Schäfer, André and Reißmann, Matti and Schäfer, Annemarie and Saak, Wolfgang and Haase, Detlev and Müller, Thomas},
      title = {A New Synthesis of Triarylsilylium Ions and Their Application in Dihydrogen Activation},
      journal = {Angewandte Chemie International Edition},
      year = {2011},
      volume = {50},
      pages = {12636–12638},
      number = {52},
      month = {Nov},
      doi = {10.1002/anie.201106582},
      issn = {1433-7851},
      publisher = {Wiley-Blackwell},
      url = {http://dx.doi.org/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, 2011.
    doi: 10.1002/chem.201101938
    @ARTICLE{Schaefer2011,
      author = {Schäfer, Annemarie and Winter, Florian and Saak, Wolfgang and Haase, Detlev and Pöttgen, Rainer and Müller, Thomas},
      title = {Stannylium Ions, a Tin(II) Arene Complex, and a Tin Dication Stabilized by Weakly Coordinating Anions},
      journal = {Chem. Eur. J.},
      year = {2011},
      volume = {17},
      pages = {10979–10984},
      number = {39},
      month = {Aug},
      doi = {10.1002/chem.201101938},
      issn = {0947-6539},
      publisher = {Wiley-Blackwell},
      url = {http://dx.doi.org/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, 2011.
    @ARTICLE{Wentrup2011,
      author = {Wentrup, Curt and Finnerty, Justin J. and Koch, Rainer},
      title = {Amino-, Alkoxy-, and Alkylthio-Isocyanates and -Isothiocyanates, RX-NCY, their Isomers RX-YCN and RX-CNY, and their Rearrangements},
      journal = {Current Organic Chemistry},
      year = {2011},
      volume = {15},
      pages = {1745-1759},
      number = {11},
      type = {Journal Article} }
  • 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, 2011.
    doi: 10.1021/jp110500d
    @ARTICLE{Yim_2011,
      author = {Yim, Wai-Leung and Klüner, Thorsten},
      title = {Lattice Stability of Si[100] Wires From First Principles},
      journal = {The Journal of Physical Chemistry C},
      year = {2011},
      volume = {115},
      pages = {3286–3290},
      number = {8},
      month = {Mar},
      doi = {10.1021/jp110500d},
      issn = {1932-7455},
      publisher = {American Chemical Society (ACS)},
      url = {http://dx.doi.org/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, 2011.
    doi: 10.1002/pmic.201100071
    @ARTICLE{Zech_2011,
      author = {Zech, Hajo and Echtermeyer, Christoph and Wöhlbrand, Lars and Blasius, Bernd and Rabus, Ralf},
      title = {Biological versus technical variability in 2-D DIGE experiments with environmental bacteria},
      journal = {Proteomics},
      year = {2011},
      volume = {11},
      pages = {3380–3389},
      number = {16},
      month = {Jul},
      doi = {10.1002/pmic.201100071},
      issn = {1615-9853},
      publisher = {Wiley-Blackwell},
      url = {http://dx.doi.org/10.1002/pmic.201100071}
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