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Publications

Researcher unique identifiers

Researcher ID A-7420-2008
Scopus 8267082500
Google Scholar S5CDkjwAAAAJ
ORCiD 0000-0002-6759-8559
arXiv tonner_r_1

  1. 2019

  2. “The Molecule-Metal Bond of Alternant versus Nonalternant Aromatic Systems on Coinage Metal Surfaces: Naphthalene versus Azulene on Ag(111) and Cu(111).”

    B. P. Klein, J. M. Morbec, M. Franke, K. K. Greulich, M. Sachs, S. Parhizkar, F. C. Bocquet, M. Schmid, S. J. Hall, R. J. Maurer, B. Meyer, R. Tonner, C. Kumpf, Peter Kratzer, J. M. Gottfried

    J. Phys. Chem. C, 2019, TBD, TBD. — accepted for publication

  3. “Template-controlled on-surface synthesis of a lanthanide supernaphthalocyanine and its open-chain polycyanine counterpart.”

    Qitang Fan, Jan-Niclas Luy, Martin Liebold, Katharina Greulich, Malte Zugermeier, Jörg Sundermeyer, Ralf Tonner, J. Michael Gottfried

    Nat. Commun., 2019, 10, 5042.
    online (DOI)
    News of Philipps-University Marburg: SFB1083

  4. “Synthesis of a two-dimensional organic–inorganic bismuth iodide metalate through in situ formation of iminium cations.”

    Natalie Dehnhardt, Jan-Niclas Luy, Marvin Szabo, Mirco Wende, Ralf Tonner, Johanna Heine

    Chem. Commun., 2019, TBD, TBD.
    online (DOI)

  5. “[{(PhSn)3SnS6}{(MCp)3S4}] (M = W, Mo): Minimal Molecular Models of the Covalent Attachment of Metal Chalcogenide Clusters on Doped Transition Metal Dichalcogenide Layers.”

    Eike Dornsiepen, Fabian Pieck, Ralf Tonner, Stefanie Dehnen

    J. Am. Chem. Soc., 2019, 141, 16494.
    online (DOI)
    News of Philipps-University Marburg: SFB1083

  6. “Understanding the correlation between electronic coupling and energetic stability of molecular crystal polymorphs: The instructive case of quinacridone.”

    Christian Winkler, Andreas Jeindl, Florian Mayer, Oliver T. Hofmann, Ralf Tonner, Egbert Zojer

    Chem. Mater., 2019, 31, 7054.
    (Festschrift in Honor of Prof. Jean-Luc Brédas on His 65th Birthday)
    online (DOI)

  7. “Conditional Singlet Oxygen Generation via DNA-targeted Tetrazine Bioorthogonal Reaction.”

    Greta Linden, Lei Zhang, Fabian Pieck, Uwe Linne, Dmitri Kosenkov, Ralf Tonner, Olalla Vázquez

    Angew. Chem., 2019, 131, 13000. Front cover (DOI)
    online (DOI)
    Angew. Chem. Int. Ed., 2019, 58, 12868. Front cover (DOI)
    online (DOI)

  8. “Inorganic and organic functionalisation of silicon studied by density functional theory.”

    Fabian Pieck, Lisa Pecher, Jan-Niclas Luy, Ralf Tonner

    In High Performance Computing in Science and Engineering ’18 2018, S. 153, Eds.: W. Nagel, W. Jäger, M. Resch, Springer: Berlin, Heidelberg.
    ISBN-10: 3030133249, ISBN-13: 978-3-030-13324-5
    online (DOI)

  9. “Spin-orbit split two-dimensional states of BiTeI/Au(111) interfaces.”

    Nikolay Zaitsev, Ralf Tonner, Ilya A. Nechaev

    J. Phys. Condens. Matter 2019, 31, 204001.
    online (DOI) (Special Issue on Internal Interfaces)

  10. “Molecular Topology and the Surface Chemical Bond: Alternant Versus Nonalternant Aromatic Systems as Functional Structural Elements.”

    Benedikt P. Klein, Nadine J. van der Heijden, Stefan R. Kachel, Markus Franke, Claudio K. Krug, Katharina K. Greulich, Lukas Ruppenthal, Philipp Müller, Phil Rosenow, Shayan Parhizkar, François C. Bocquet, Martin Schmid, Wolfgang Hieringer, Reinhard J. Maurer, Ralf Tonner, Christian Kumpf, Ingmar Swart, J. Michael Gottfried

    Phys. Rev. X 2019, 9, 011030.
    online (DOI)

  11. “Deriving bonding concepts for molecules, surfaces and solids with energy decomposition analysis for extended systems (pEDA).”

    Lisa Pecher, Ralf Tonner

    WIREs Computational Molecular Science 2019, 9, e1401.
    online (DOI)
    Referred to by: HLRS News, Bioengineer.com, BrightSurf.com,
    CMFE News, EurekAlert!, Facts N Trends, manufacturing.net,
    PHYS.ORG

    2018

  12. “Dispersion-mediated steering of organic adsorbates on a pre-covered silicon surface.”

    Lisa Pecher, Sebastian Schmidt, Ralf Tonner

    Beilstein J. Org. Chem. 2018, 14, 2715.
    online (DOI)

  13. “From Acenaphthenes to (+)-Delavatine A: Visible-Light-Induced Ring Closure of Methyl (α-Naphthyl) Acrylates.”

    Theodor Peez, Jan-Niclas Luy, Klaus Harms, Ralf Tonner, Ulrich Koert

    Chem. Eur. J. 2018, 24, 17686.
    online (DOI)

  14. “Experimental and Computational Study of Isomerically Pure Soluble Azaphthalocyanines and their Complexes and Boron Azasubphthalocyanines of Varying Number of Aza Units.”

    Martin Liebold, Eugen Sharikow, Elisabeth Seikel, Lukas Trombach, Klaus Harms, Petr Zimčík, Veronika Nováková, Ralf Tonner, Jörg Sundermeyer

    Org. Biomol. Chem. 2018, 16, 6586.
    online (DOI)

  15. “Structure and vibrational properties of the PTCDA/Ag(111) interface: Bilayer vs. monolayer.”

    Nikolay L. Zaitsev, Peter Jakob, Ralf Tonner

    J. Phys. Condens. Matter 2018, 30, 354001.
    online (DOI) (Special Issue on Internal Interfaces)

  16. “Trendbericht Theoretische Chemie 2017: Quantenchemie für Funktionsmaterialien.”

    Ralf Tonner

    Nachrichten aus der Chemie 2018, 66, 316.
    online (DOI), excerpt in PDF taken from the publication.

  17. “Computational analysis of the competitive bonding and reactivity pattern of a bifunctional cyclooctyne on Si(001).”

    Lisa Pecher, Ralf Tonner

    Theor. Chem. Acc. 2018, 137, 48.
    online (DOI)

  18. “Ab initio calculations of the concentration dependent band gap reduction in dilute nitrides.”

    Phil Rosenow, Lars C. Bannow, Eric W. Fischer, Wolfgang Stolz, Kerstin Volz, Stephan W. Koch, Ralf Tonner

    Phys. Rev. B 2018, 97, 075201.
    online (DOI)

  19. “Bond Insertion at Distorted Si(001) Subsurface Atoms.”

    Lisa Pecher, Ralf Tonner

    Inorganics 2018, 6, 17.
    online (DOI)
    MDPI 2019, Coordination Chemistry of Silicon, 94.
    online (DOI) (Open Access)

  20. “Ternary Iodido Bismuthates and the Special Role of Copper.”

    Natalie Dehnhardt, Hendrik Borkowski, Johanna Schepp, Ralf Tonner, Johanna Heine

    Inorg. Chem. 2018, 57, 633.
    online (DOI)

  21. “Comparison of the periodic slab approach with the finite cluster description for metal-organic interfaces at the example of PTCDA on Ag(110).”

    Jaita Banerjee, Stefan Behnle, Martin C. E. Galbraith, Volker Settels, Bernd Engels, Ralf Tonner, Reinhold F. Fink

    J. Comput. Chem. 2018, 39, 844
    online (DOI) (arXiv)

    2017

  22. “Gas phase chemistry of Trimethylboron in thermal chemical vapor deposition.”

    Mewlude Imam, Laurent Souqui, Jan Herritsch, Andreas Stegmüller, Carina Höglund, Susann Schmidt, Richard Hall-Wilton, Hans Högberg, Jens Birch, Ralf Tonner, Henrik Pedersen

    J. Phys. Chem. C 2017, 121, 26465.
    online (DOI)

  23. “Modeling the Complex Adsorption Dynamics of Large Organic Molecules: Cyclooctyne on Si(001).”

    Lisa Pecher, Sebastian Schmidt, Ralf Tonner

    J. Phys. Chem. C 2017, 121, 26840.
    online (DOI)

  24. “Ethers on Si(001): A prime example for the common ground between surface science and molecular organic chemistry.”

    Lisa Pecher, Slimane Laref, Marc Raupach, Ralf Tonner

    Angew. Chem. 2017, 129, 15347.
    online (DOI)
    Angew. Chem. Int. Ed. 2017, 56, 15150.
    online (DOI)

  25. “An ab initio based approach to optical properties of semiconductor heterointerfaces.”

    Larc C. Bannow, Phil Rosenow, Philipp Springer, Eric W. Fischer, Jörg Hader, Jerry V. Moloney, Ralf Tonner, Stephan W. Koch

    Modelling Simul. Mater. Sci. Eng. 2017, 25, 065001.
    online (DOI) (arXiv)

  26. “Local Bi ordering in MOVPE grown Ga(As,Bi) by high resolution scanning transmission electron microscopy.”

    Nikolai Knaub, Andreas Beyer, Phil Rosenow, Kakhaber Jandieri, Peter Ludewig, Lars Bannow, Stephan W. Koch, Ralf Tonner, Kerstin Volz

    Applied Materials Today 2017, 6, 22.
    online (DOI)

  27. “Site-specific reactivity of ethylene at distorted dangling bond configurations on Si(001).”

    Josua Pecher, Gerson Mette, Michael Dürr, Ralf Tonner

    ChemPhysChem 2017, 18, 357
    online (DOI) (arXiv)

  28. “Chemisorption of a strained but flexible molecule: Cyclooctyne on Si(001).”

    Josua Pecher, Christoph Schober, Ralf Tonner

    Chem. Eur. J. 2017, 23, 5459. Front cover (DOI)
    online (DOI)

  29. “Precursor states of organic adsorbates on semiconductor surfaces are chemisorbed and immobile.”

    Josua Pecher, Ralf Tonner

    ChemPhysChem 2017, 18, 34. Front cover (DOI)
    online (DOI)

    2016

  30. “Growth, structural and electronic properties of functional semiconductors studied by first principles.”

    Andreas Stegmüller, Phil Rosenow, Josua Pecher, Nikolay Zaitsev, Ralf Tonner

    In High Performance Computing in Science and Engineering ’16 2017, pp. 145, Eds.: W. Nagel, W. Jäger, M. Resch, Springer: Berlin, Heidelberg.
    ISBN-10: 3319470655, ISBN-13: 978-3-319-47065-8
    online (DOI)

  31. “Ab initio modelling of semiconductor epitaxy processes – gas phase, surface and interfaces.”

    Andreas Stegmüller, Phil Rosenow, Ralf Tonner

    In Proceedings of the 16th International Conference on Computational and Mathematical Methods in Science and Engineering
    CMMSE 2016, 5, 1489.
    ISBN-13: 978-84-608-6082-2
    online

  32. “Realistic modeling of semiconductor properties by first principles calculations.”

    Andreas Stegmüller, Ralf Tonner

    InSiDE 2016, 14, 69.
    online

  33. “Adsorption geometry and the interface states: The relaxed and compressed phases of NTCDA/Ag(111).”

    Peter Jakob, Nikolay L. Zaitsev, Andreas Namgalies, Ralf Tonner, Ilya A. Nechaev, F. Stefan Tautz, Ulrich Höfer, and Daniel Sanchez-Portal

    Phys. Rev. B 2016, 94, 125436.
    online (DOI) (arXiv)

  34. “Towards J/mol Accuracy for the Cohesive Energy of Solid Argon.”

    Peter Schwerdtfeger, Ralf Tonner, Gloria E. Moyano, Elke Pahl

    Angew. Chem. 2016, 128, 12387.
    online (DOI)
    Angew. Chem. Int. Ed. 2016, 55, 12200.
    online (DOI)

  35. “Surface chemistry of tert-butylphosphine (TBP) on Si(001) in the nucleation phase of thin-film growth.”

    Andreas Stegmüller, Katharina Werner, Marcel Reutzel, Andreas Beyer, Phil Rosenow, Ulrich Höfer, Wolfgang Stolz, Kerstin Volz, Michael Dürr, Ralf Tonner

    Chem. Eur. J. 2016, 22, 14920.
    online (DOI)

  36. “Lewis acids as activators in CBS-catalyzed Diels-Alder reactions – distortion induced Lewis acidity enhancement of SnCl4.”

    Alexander R. Nödling, Robert Möckel, Ralf Tonner, Gerhard Hilt

    Chem. Eur. J. 2016, 22, 13171.
    online (DOI)

  37. “Difluoro Borenium Cation stabilized by Hexaphenyl Carbodiphosphorane: a concise study on the molecular and electronic structure of [(Ph3P)2C⇉BF2][BF4].”

    Jörn E. Münzer, Pascual Oña-Burgos, Bernhard Neumüller, Ralf Tonner, Ignacio Fernández, Istemi Kuzu

    Eur. J. Inorg. Chem. 2016, 2016, 3852.
    online (DOI)

  38. “Advanced NMR Methods and DFT Calculations on the Regioselective Deprotonation and Functionalization of 1,1'-Methylenebis(3-methylimidazole-2-thione).”

    Mona Bauer, Dejan Premužić, Günther Thiele, Bernhard Neumüller, Ralf Tonner, Álvaro Raya-Barón, Ignacio Fernández, Istemi Kuzu

    Eur. J. Inorg. Chem. 2016, 2016, 3756.
    online (DOI)

  39. “Pyramidal Structure Formation at the Interface between III/V Semiconductors and Silicon.”

    Andreas Beyer, Andreas Stegmüller, Jan O. Oelerich, Kakhaber Jandieri, Katharina Werner, Gerson Mette, Wolfgang Stolz, Sergei D. Baranovski, Ralf Tonner, Kerstin Volz

    Chem. Mater. 2016, 28, 3265.
    online (DOI)

  40. “Electron-vibron coupling at metal-organic interfaces from theory and experiment.”

    Phil Rosenow, Peter Jakob, Ralf Tonner

    J. Phys. Chem. Lett. 2016, 7, 1422.
    online (DOI)

  41. “Extent of hydrogen coverage of Si(001) under chemical vapor deposition conditions from ab initio approaches.”

    Phil Rosenow, Ralf Tonner

    J. Chem. Phys. 2016, 144, 204706.
    online (DOI) (arXiv)

  42. “Configuration Dependence of Band Gap Narrowing and Localization in Dilute GaAs1-xBix Alloys.”

    Lars C. Bannow, Stefan C. Badescu, Oleg Rubel, Phil Rosenow, Jörg Hader, Jerome V. Moloney, Ralf Tonner, Stephan W. Koch

    Phys. Rev. B 2016, 93, 205202.
    online (DOI) (arXiv)

  43. “Molecular structure and vibrations of NTCDA monolayers on Ag(111) from density-functional theory and infrared adsorption spectroscopy.”

    Ralf Tonner, Phil Rosenow, Peter Jakob

    Phys. Chem. Chem. Phys. 2016, 18, 6316.
    online (DOI) (Open Access)

  44. “Efficient nitrogen incorporation in GaAs using novel metal organic As-N precursors.”

    Eduard Sterzer, Andreas Beyer, Lukas Nattermann, Lennart Duschek, Benjamin Ringler, Bernhard Leube, Andreas Stegmüller, Ralf Tonner, Carsten von Hänisch, Wolfgang Stolz, Kerstin Volz

    J. Cryst. Growth 2016, 439, 19.
    online (DOI)

  45. “From Small Fullerenes to the Graphene Limit: A Harmonic Force-Field Method for Fullerenes and a Comparison to Density Functional Calculations for Goldberg-Coxeter Fullerenes up to C980.”

    Lukas Wirz, Ralf Tonner, Andreas Hermann, Rebecca Sure and Peter Schwerdtfeger

    J. Comput. Chem. 2016, 37, 10. Front cover (DOI)
    online (DOI) (Schleyer Ausgabe)

  46. “Interface morphology and composition of Ga(NAsP) quantum well structures for monolithically integrated LASERs on silicon substrates.”

    Tatjana Wegele, Andreas Beyer, Peter Ludewig, Phil Rosenow, Lennart Duschek, Kakhaber Jandieri, Ralf Tonner, Wolfgang Stolz, Kerstin Volz

    J. Phys. D: Appl. Phys. 2016, 49, 075108.
    online (DOI)

  47. “Interfacial properties and growth dynamics of semiconductor interfaces.”

    Phil Rosenow, Andreas Stegmüller, Josua Pecher, Ralf Tonner

    In High Performance Computing in Science and Engineering '15 2016, pp. 199, Eds.: W. E. Nagel, W. Jäger, M. Resch, , Springer, Berlin, Heidelberg.
    online (DOI)

    2015

  48. “Inelastic Decay of Electrons in Shockley-type Metal-Organic Interface States.”

    Stephan S. Tsirkin, Nikolay L. Zaitsev, Ilya A. Nechaev, Ralf Tonner, Ulrich Höfer und Eugene V. Chulkov

    Phys. Rev. B 2015, 92, 235434.
    online (DOI) (arXiv)

  49. “Rhodium(I) and Iridium(I) Complexes of the Conformationally Rigid IBioxMe4 Ligand: Computational and Experimental Studies of Unusually Tilted NHC Coordination Geometries.”

    Jan-Niclas Luy, Simone A. Hauser, Adrian B. Chaplin and Ralf Tonner

    Organometallics 2015, 34, 5099.
    online (DOI)

  50. “Iridium Complexes of the Conformationally Rigid IBioxMe4 Ligand: Hydride Complexes and Dehydrogenation of Cyclooctene.”

    Simone A. Hauser, Ralf Tonner and Adrian B. Chaplin

    Organometallics 2015, 34, 4419.
    online (DOI)

  51. “Gas Phase Chemical Vapor Deposition Chemistry of Triethylboron Probed by Boron-Carbon Thin Film Deposition and Quantum Chemical Calculations.”

    Mewlude Imam, Konstantin Gaul, Andreas Stegmüller, Carina Höglund, Jens Jensen, Lars Hultman, Jens Birch, Ralf Tonner, Henrik Pedersen

    J. Mater. Chem. C 2015, 3, 10898.
    online (DOI)

  52. “A quantum chemical descriptor for CVD precursor design: predicting decomposition rates of TBP and TBAs isomers and derivatives.”

    Andreas Stegmüller, Ralf Tonner

    Chem. Vap. Deposition 2015, 21, 161.
    online (DOI)

  53. “β-hydrogen elimination mechanism in the absence of low-lying acceptor orbitals in EH2(t-C4H9) (E = N-Bi).”

    Andreas Stegmüller, Ralf Tonner

    Inorg. Chem. 2015, 54, 6363.
    online (DOI)

  54. “A periodic Energy Decomposition Analysis (pEDA) method for the Investigation of Chemical Bonding in Extended Systems.”

    Marc Raupach, Ralf Tonner

    J. Chem. Phys. 2015, 142, 194105.
    online (DOI) (arXiv) (Open Access)

  55. “GaP/Si: Studying Semiconductor Growth Characteristics with Realistic Quantum-Chemical Models.”

    Andreas Stegmüller, Ralf Tonner

    In High Performance Computing in Science and Engineering ’14 2015, pp. 205, Eds.: W. Nagel, W. Jäger, M. Resch, Springer, Berlin, Heidelberg.
    online (DOI)

  56. “New mono-, bi- and tetranuclear palladium(II) complexes containing 3-mercapto-1,2,4-triazole derivative: synthesis, characterization, crystal structure and density functional theory (DFT) calculations.”

    Mitra Ghassemzadeh, Bernhard Neumüller, Ralf Tonner, Samira Bahemmat, Ali Gouran

    Monatsh. Chem. 2015, 146, 57.
    online (DOI)

  57. “A systematic study of rare gas atoms encapsulated in small fullerenes using dispersion correction density functional theory.”

    Rebecca Sure, Ralf Tonner, Peter Schwerdtfeger

    J. Comput. Chem. 2015, 36, 88.
    online (DOI)

    2014

  58. “The dimeric nature of bonding in gallium: from small clusters to the α-gallium phase.”

    Ralf Tonner, Nicola Gaston

    Phys. Chem. Chem. Phys. 2014, 16, 24244.
    online (DOI)

  59. “Complex surface chemistry of an otherwise inert solvent molecule: tetrahydrofuran on Si(001).”

    Gerson Mette, Marcel Reutzel, Ruben Bartholomäus, Slimane Laref, Ralf Tonner, Michael Dürr, Ulrich Koert, Ulrich Höfer

    Chem. Phys. Chem. 2014, 15, 3725.
    online (DOI)

  60. “A quantum chemical study on gas phase decomposition pathways of triethylgallane (TEG, Ga(C2H5)3) and tert-butylphosphine (TBP, PH2(t-C4H9)) under MOVPE conditions.”

    Andreas Stegmüller, Phil Rosenow, Ralf Tonner

    Phys. Chem. Chem. Phys. 2014, 16, 17018.
    online (DOI) (Open Access)

  61. “Donor–Acceptor Complexes of Main-Group Elements”

    Gernot Frenking, Ralf Tonner

    The Chemical Bond – Chemical Bonding Across the Periodic Table 2014, pp. 71, Eds.: Gernot Frenking, S. Shaik, Wiley-VCH, Weinheim.
    online (DOI)

  62. “New bonding modes of carbon and heavier group 14 atoms Si–Pb.”

    Gernot Frenking, Ralf Tonner, Susanne Klein, Nozomi Takagi, Takayazu Shimizu, Andreas Krapp, Krishna. K. Pandey, Pattiyil Parameswaran

    Chem. Soc. Rev. 2014, 43, 5106.
    online (DOI)

  63. “Quantitative investigation of bonding characteristics in ternary Zintl Anions. Charge and Energy Analysis of [Sn2E152(ZnPh)]- (E15 = Sb, Bi) and [Sn2Sb5(ZnPh)2]3-.”

    Marc Raupach, Stefanie Dehnen, Ralf Tonner

    J. Comput. Chem. 2014, 35, 1045.
    online (DOI)

  64. “Structure and Properties of the Nonface-Spiral Fullerenes T-C380, D3-C384, D3-C440, and D3-C672 and Their Halma and Leapfrog Transforms.”

    Lukas N. Wirz, Ralf Tonner, James Avery, Peter Schwerdtfeger

    J. Chem. Inf. Mod. 2014, 54, 121.
    online (DOI)

  65. “Formation of an Organic/Metal Interface State from a Shockley Resonance.”

    Martin C. E. Galbraith, Manuel Marks, Ralf Tonner, Ulrich Höfer

    J. Phys. Chem. Lett. 2014, 5, 50.
    online (DOI)

  66. “Synthesis and characterization of the silylated hexaphenyl carbodiphosphorane [Me3SiC(PPh3)2][CF3SO3].”

    Istemi Kuzu, Nis-Julian H. Kneusels, Mona Bauer, Bernhard Neumüller, Ralf Tonner

    Z. Anorg. Allg. Chem. 2014, 640, 417.
    online (DOI)

    2013

  67. “From Molecules to Thin Films: GaP Nucleation on Si Substrates”

    Andreas Stegmüller, Ralf Tonner

    In High Performance Computing in Science and Engineering ’13 2013, pp. 185, Eds.: W. E. Nagel, D. H. Kröner, M. M. Resch, 185, Springer International Publishing.
    online (DOI)

  68. “Carbodicarbenes”

    Gernot Frenking, Ralf Tonner

    In Contemporary Carbene Chemistry 2013, Eds.: R. A. Moss, M. P. Doyle, pp. 216, John Wiley & Sons, Inc. .
    online (DOI)

  69. “Syntheses, Structures and Electronic Properties of a New Series of Tellurides x2- (x = 1 – 4).”

    Günther Thiele, Niels Lichtenberger, Ralf Tonner, Stefanie Dehnen

    Z. Anorg. Allg. Chem. 2013, 639, 2809.
    online (DOI)

    2012

  70. “Vibrational Davydov-Splittings and Collective Mode Polarizations in Oriented Organic Semiconductor Crystals.”

    Tobias Breuer, Mehmet Celik, Peter Jakob, Ralf Tonner, Gregor Witte

    J. Phys. Chem. C 2012, 116, 14491.
    online (DOI); Correction online (DOI)

  71. “A DFT-D Study of Structural and Energetic Properties of TiO2 modifications.”

    Jonas Möllmann, Stephan Ehrlich, Ralf Tonner, Stefan Grimme

    J. Phys. Condens. Matter 2012, 24, 424206.
    online (DOI)

  72. “Stability of Gas-Phase Tartaric Acid Anions Investigated by Quantum-Chemistry, Mass Spectrometry, and Infrared Spectroscopy.”

    Ralf Tonner, Peter Schwerdtfeger, Amanda L. May, Jeffrey D. Steill, Giel Berden, Jos Oomensm, Shawn R. Campagna, Robert N. Compton

    J. Phys. Chem. A 2012, 116, 4789.
    online (DOI)

  73. “Understanding the Regioselectivity in Scholl Reactions for the Synthesis of Oligoarenes.”

    Michael Danz, Ralf Tonner, Gerhard Hilt

    Chem. Comm. 2012, 48, 377.
    online (DOI)

  74. “Carbodiphosphorane-analogues E(PPh3)2 with E = C–Pb. A theoretical study with implications for ligand design.”

    Nozomi Takagi, Ralf Tonner, Gernot Frenking

    Chem. Eur. J. 2012, 18, 1772.
    online (DOI)

    2011

  75. “Synthesis of Highly Stable 1,3-Diaryl-1H-1,2,3-triazol-5-ylidenes and Their Applications in Ruthenium-Catalyzed Olefin Metathesis.”

    Jean Bouffard, Benjamin K. Keitz, Ralf Tonner, Gregorio Guisado-Barrios, Gernot Frenking, Robert H. Grubbs, Guy Bertrand

    Organometallics 2011, 30, 2617.
    online (DOI)

  76. N-Heterocyclic carbenes versus transition metals for stabilizing phosphinyl radicals.”

    Olivier Back, Bruno Donnadieu, Moritz von Hopffgarten, Susanne Klein, Ralf Tonner, Gernot Frenking, Guy Bertrand

    Chem. Sci. 2011, 2, 858. Front cover (DOI)
    online (DOI)

  77. “Carbodicarbenes—divalent carbon(0) compounds exhibiting carbon–carbon donor–acceptor bonds.”

    Ralf Tonner, Gernot Frenking

    Wiley Interdiscip. Rev. Comput. Mol. Sci. 2011, 1, 869.
    online (DOI)

  78. Antwort zum Kommentar auf “Theoretical investigations into the enantiomeric and racemic forms of α-(trifluoromethyl)lactic acid.”

    Ralf Tonner, Vadim A. Soloshonok, Peter Schwerdtfeger

    Phys. Chem. Chem. Phys. 2011, 13, 4161.
    online (DOI)

  79. “Packed to the Rafters: Filling up C60 with Rare Gas Atoms.”

    Ralf Tonner, Gernot Frenking, Matthias Lein, Peter Schwerdtfeger

    Chem. Phys. Chem. 2011, 12, 2081.
    online (DOI)

  80. “Theoretical investigations into the enantiomeric and racemic forms of α-(trifluoromethyl)lactic acid.”

    Ralf Tonner, Vadim A. Soloshonok, Peter Schwerdtfeger

    Phys. Chem. Chem. Phys. 2011, 13, 811. Inside front cover (DOI)
    online (DOI) (Special issue “Homochirality and the origin of life.”)

    2010

  81. “Gallium Halides as Alternative Ligands to CO and N2 in Transition-Metal Complexes: A Bonding Analysis.”

    José A. Gámez, Ralf Tonner, Gernot Frenking

    Organometallics 2010, 29, 5676.
    online (DOI)

  82. P-Heterocyclic Carbenes as Effective Catalysts for the Activation of Single and Multiple Bonds. A Theoretical Study”

    Markus Rullich, Ralf Tonner, Gernot Frenking

    New. J. Chem. 2010, 34, 1760.
    online (DOI)

  83. “Isolation of a Low-Coordinate Rhodium Phosphine Complex Formed by C–C Bond Activation of Biphenylene.”

    Adrian B. Chaplin, Ralf Tonner, Andrew S. Weller

    Organometallics 2010, 29, 2710.
    online (DOI)

  84. “Carbodicarbenes and Related Divalent Carbon(0) Compounds.”

    Susanne Klein, Ralf Tonner, Gernot Frenking

    Chem. Eur. J. 2010, 16, 10160.
    online (DOI), correction online (DOI)

  85. “Adsorption of Proline and Glycine on the TiO2(110) Surface: A Density Functional Theory Study.”

    Ralf Tonner

    Chem. Phys. Chem. 2010, 11, 1053.
    online (DOI)

  86. “Reaction of Double Ylide C(PPh3)2 with [W(CO)6] – Crystal Structures of [(CO)5W(CCPPh3)] and [(CO)5W{η1-O2C2(PPh3) 2}] and Bonding Analyses of [TM(CCPR3)] Compounds.”

    Wolfgang Petz, Bernhard Neumüller, Ralf Tonner

    Eur. J. Inorg. Chem. 2010, 12, 1872.
    online (DOI)

  87. “A Systematic Density Functional and Wavefunction Based Study on Dicarboxyl Dianions -O2C-R-CO2- with R=C2, C2X2, C2X4, and C6X4 (X=H, F).”

    Ralf Tonner, Matthias Lein, Ralf Wesendrup, Peter Schwerdtfeger

    Theo. Chem. Acc. 2010, 126, 129.
    online (DOI)

    2009

  88. “Carbodiphosphorane C(PPh3)2 as Single and Twofold Lewis Base with Boranes: Synthesis, Crystal Structures and Theoretical Studies of [H3B{C(PPh3)2}] and [{(μ-H)H4B2}{C(PPh3)2}] +.”

    Wolfgang Petz, Florian Öxler, Bernhard Neumüller, Ralf Tonner, Gernot Frenking

    Eur. J. Inorg. Chem. 2009, 29–30, 4507.
    online (DOI)

  89. “Tolman’s Electronic Parameters for Divalent Carbon(0) Compounds.”

    Ralf Tonner, Gernot Frenking

    Organometallics 2009, 28, 3901.
    online (DOI)

  90. “Divalent carbon(0) compounds.”

    Ralf Tonner, Gernot Frenking

    Pure Appl. Chem. 2009, 81, 597.
    online (DOI)

    2008

  91. “π-Bonding in the Complexes of Benzannulated Biscarbenes, -germylenes and -stannylenes: An Experimental and Theoretical Study.”

    F. Ekkehardt Hahn, Alexander V. Zabula, Tania Pape, Alexander Hepp, Ralf Tonner, Robin Haunschild, Gernot Frenking

    Chem. Eur. J. 2008, 14, 10716.
    online (DOI)

  92. “First and Second Proton Affinites of Carbon Bases.”

    Ralf Tonner, Greta Heydenrych, Gernot Frenking

    Chem. Phys. Chem. 2008, 9, 1474.
    online (DOI)

  93. “Molecular electrostatic potentials of divalent carbon(0) compounds.”

    Milind M. Deshmukh, Shridhar R. Gadre, Ralf Tonner; Gernot Frenking

    Phys. Chem. Chem. Phys. 2008, 10, 2298.
    online (DOI)

  94. “Are carbodiphoshoranes better ligands than N-heterocyclic carbenes for Grubb’s catalysts?”

    Ralf Tonner, Gernot Frenking

    Chem. Comm. 2008, 13, 1584.
    online (DOI)

  95. “Divalent Carbon(0) Chemistry. Part 2: Protonation and Complexes With Main Group and Transition Metal Lewis Acids.”

    Ralf Tonner, Gernot Frenking

    Chem. Eur. J. 2008, 14, 3273.
    online (DOI)

  96. “Divalent Carbon(0) Chemistry. Part 1: Parent Compounds.”

    Ralf Tonner, Gernot Frenking

    Chem. Eur. J. 2008, 14, 3260.
    online (DOI)

    2007

  97. “The ABCs of Multiple Bonding.”

    Ralf Tonner, Gernot Frenking

    Science 2007, 318, 746.
    online (DOI)

  98. “Bonding Analysis of N-Heterocyclic Carbene Tautomers and Phosphine Ligands in Transition-Metal Complexes: A Theoretical Study.”

    Ralf Tonner, Greta Heydenrych, Gernot Frenking

    Chem. Asian J. 2007, 2, 1555.
    online (DOI)
    Most Cited Research article 2007-2008

  99. “(Ph4P)2[Be2F6]•2CH3CN: Synthese, Schwingungsspektrum, Kristallstruktur und quantenchemische Rechnungen.”

    Ralf Tonner, Gernot Frenking, Bernhard Neumüller, Kurt Dehnicke

    Z. Anorg. Allg. Chem. 2007, 8, 1183.
    online (DOI)

  100. “C(NHC)2: zweibindige Kohlenstoff(0)-Verbindungen mit N-heterocyclischen Carbenliganden – theoretische Belege für eine Molekümasse mit vielversprechenden Eigenschaften.”

    Ralf Tonner, Gernot Frenking

    Angew. Chem. 2007, 119, 8850.
    online (DOI);
    Angew. Chem. Int. Ed. 2007, 46, 8695.
    online (DOI)

  101. “Theoretical chemistry: The six-bond bound.”

    Gernot Frenking, Ralf Tonner

    Nature 2007, 446, 276.
    online (DOI)

  102. “Reply to Réplique: A New Concept for Bonding in Carbodiphosphoranes?”

    Gernot Frenking, Bernhard Neumüller, Wolfgang Petz, Ralf Tonner, Florian Öxler

    Angew. Chem. 2007, 119, 3044.
    online (DOI)

    2006

  103. “Carbodiphosphorane: die Chemie von zweibindigem Kohlenstoff(0).”

    Ralf Tonner, Florian Öxler, Bernhard Neumüller, Wolfgang Petz, Gernot Frenking

    Angew. Chem. 2006, 118, 8206.
    online (DOI)
    Angew. Chem. Int. Ed. 2006, 45, 8038.
    online (DOI), correction online (DOI)
    Highlight in: Science 2006, 314, 1050; C&EN 2007, 85, 37; Nach. Chem. 2007, 55, 7.

  104. “Computational Chemistry.”

    Ralf Tonner, Gernot Frenking

    In High Performance Computing in Science and Engineering ’ 05 2006, pp. 245, Eds. W. Nagel, W. Jäger, M. Resch, Springer: Berlin, Heidelberg.
    online (DOI)

  105. “Extension of the Lennard-Jones potential: Theoretical investigations into rare-gas clusters and crystal lattices of He, Ne, Ar, and Kr using many-body interaction expansions.”

    Peter Schwerdtfeger, Nicola Gaston, Robert P. Krawczyk, Ralf Tonner, Gloria E. Moyano

    Phys. Rev. B 2006, 73.
    online (DOI)

    2005

  106. “Density functional calculations for static dipole interaction polarizabilities of NeN cluster up to N < 30.”

    Ralf Tonner, Peter Schwerdtfeger

    In Lecture Series on Computer and Computational Sciences: The Frontiers of Computational Science 2005, 3, pp. 223, Eds. G. Maroulis, T. Simos, Brill Academic Publishers: Leiden, The Netherlands.
    offline

  107. “Experimental and Theoretical Studies of Carbodiphosphorane–CX2Aadducts with Unusual Bonding Situations: Preparation, Crystal Structures, and Bonding Analyses of S2CC(PPh3)2, O2CC(PPh3)2, and [(CO)4MS2CC(PPh3)2] (M = Cr, Mo, W).”

    Wolfgang Petz, Christian Kutschera, Maya Heitbaum, Gernot Frenking, Ralf Tonner, Bernhard Neumüller

    Inorg. Chem. 2005, 44, 1263.
    online (DOI)

Zuletzt aktualisiert: 07.11.2019 · Reuti

 
 
 
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