Forschungsergebnisse
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Multiple origins for Hound’s tongues (Cynoglossum L.) and Navel seeds (Omphalodes Mill.) – The phylogeny of the borage family (Boraginaceae s.str.) Maximilian Weigend, Federico Luebert, Federico Selvi, Grischa Brokamp, Hartmut H. Hilger Molecular Phylogenetics and Evolution (2013) DOI |
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The Synthesis of Hexafluorosumanene and Its Congeners Schmidt, B. M., Topolinski, B., Higashibayashi, S., Kojima, T., Kawano, M., Lentz, D. and Sakurai, H. Chem. Eur. J., 19: 3282–3286, March 4 (2013) DOI |
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Electronic structure and imaging contrast of graphene moiré on metals E. N. Voloshina, E. Fertitta, A. Garhofer, F. Mittendorfer, M. Fonin, A. Thissen, Yu. S. Dedkov Nature Scientific Reports 3, 1072 (2013) Link |
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How to Handle Speciose Clades? Mass Taxon-Sampling as a Strategy towards Illuminating the Natural History of Campanula (Campanuloideae) Guilhem Mansion, Gerald Parolly, Andrew A. Crowl, Evgeny Mavrodiev, Nico Cellinese, Marine Oganesian, Katharina Fraunhofer, Georgia Kamari, Dimitrios Phitos, Rosemarie Haberle, Galip Akaydin, Nursel Ikinci, Thomas Raus, Thomas Borsch PLoS ONE 7(11) (2012) Link |
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How Expert Advice Influences Decision Making Dar Meshi, Guido Biele, Christoph W. Korn, Hauke R. Heekeren PLoS ONE 7(11) (2012) DOI |
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Changes in Neural Connectivity Underlie Decision Threshold Modulation for Reward Maximization Nikos Green, Guido P. Biele, and Hauke R. Heekeren, The Journal of Neuroscience, 24 October 2012, 32(43): 14942-14950; DOI |
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| Tellurium-Nitrogen π-Heterocyclic Chemistry: Synthesis, Structure and Reactivity Toward Halides and Pyridine of 3,4-Dicyano-1,2,5-telluradiazole N. A. Semenov, N. A. Pushkarevsky, J. Beckmann, P. Finke, E. Lork, R. Mews, I. Yu. Bagryanskaya, Y. V. Gatilov, S. N. Konchenko, V. G. Vasiliev, A. V. Zibarev Eur. J. Inorg. Chem., 3693-3703 (2012) Link |
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| Synthesis and Structure of an Intramolecularly Coordinated Diaryltelluronic Acid and its Dimethyl Ester J. Beckmann, J. Bolsinger, A. Duthie, P. Finke Organometallics 2012, 31, 289-293 (2012) Link |
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| New Series of Intramolecularly Coordinated Diaryltellurium Compounds. Rational Synthesis of the Diarylhydroxytelluronium Triflate [(8-Me2NC10H6)2Te(OH)](O3SCF3) J. Beckmann, J. Bolsinger, A. Duthie, P. Finke Organometallics 2012, 31, 238-245 (2012) Link |
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Electronic structure and the ground-state properties of cobalt antimonide skutterudites: Revisited with different methods Lukas Hammerschmidt, Sabine Schlecht and Beate Paulus Phys. Status Solidi A (2012) Link |
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Graphene on metallic surfaces: problems and perspectives E. Voloshina and Yu. S. Dedkov Phys. Chem. Chem. Phys. 14, 13502 (2012), Perspective Link |
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| Pyridinylidene-Phenoxide in Strong Electric Fields: Controlling Orientation, Conical Intersection, and Radiation-Less Decay S. Belz, S. Zilberg, M. Berg, T. Grohmann, and M. Leibscher J. Phys. Chem. A, Articles ASAP (2012) DOI |
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Halogenated Benzene Cation Radicals Matthias J. Molski, Doreen Mollenhauer, Sebastian Gohr, Prof. Dr. Beate Paulus, Prof. Monther A. Khanfar, Dr. Hashem Shorafa, Prof. Steven H. Strauss, Prof. Dr. Konrad Seppelt Chem. Eur. J., 18(21), 6644–6654 (2012) Link |
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Wavefunction-based electron correlation methods for solids Carsten Müller and Beate Paulus Phys. Chem. Chem. Phys. (2012), Advance Article Link |
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Electron correlation contribution to the physisorption of CO on MgF2(110) Lukas Hammerschmidt, Carsten Müller and Beate Paulus J. Chem. Phys. 136, 124117 (2012) Link |
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Trip2C6H3SeF: Das erste isolierte Selenenylfluorid Helmut Poleschner, Stefan Ellrodt, Moritz Malischewski, Jun-ya Nakatsuji, Christian Rohner and Konrad Seppelt Angew. Chem. 2012, 124, 433 (2012) DOI |
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| Genome reorganization in mammary gland tumorigenesis Christoph Standfuß Masterarbeit, Freie Universität Berlin (2011) |
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Local correlation method for metals: Benchmarks for surface and adsorption energies E. Voloshina Phys. Rev. B 85, 045444 (2011) Link |
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| Accurate quantum-chemical description of gold complexes with pyridine and its derivatives D. Mollenhauer, J. Floss, H.-U. Reissig, E. Voloshina, B. Paulus Journal of Computational Chemistry 32, 1839 (2011) DOI |
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Diversification in the Andes: Age and origins of South American Heliotropium lineages (Heliotropiaceae, Boraginales) Luebert, Federico; Hilger, Hartmut H.; Weigend, Maximilian Molecular Phylogenetics and Evolution 61(1): 90-102 (2011) DOI |
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Theoretical study on the adsorption of pyridine derivatives on graphene E. Voloshina, D. Mollenhauer, L. Chiappisi, and B. Paulus Chem. Phys. Lett. 510, 220 (2011) Link |
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Local correlation methods for solids: Comparison of incremental and periodic correlation calculations for the argon fcc crystal C. Müller, D. Usvyat and H. Stoll Phys. Rev. B 83, 245136 (2011) Link |
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Phylogenetic relationships and morphological diversity in Neotropical Heliotropium (Heliotropiaceae) Luebert, Federico; Brokamp, Grischa; Wen, Jun; Weigend, Maximilian; Hilger, Hartmut H. Taxon 60(3): 663-680 (2011) Link |
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The Neural Basis of Following Advice Guido Biele, Jörg Rieskamp, Lea K. Krugel, Hauke R. Heekeren PLoS Biol, Vol. 9, No. 6 (2011) Link |
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On the physisorption of water on graphene: a CCSD(T) study E. Voloshina, D. Usvyat, M. Schütz, Yu. S. Dedkov, and B. Paulus Phys. Chem. Chem. Phys. 13, 12041 (2011) DOI, arXiv |
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| Growth and Characterization of One-Dimensional SnTe Crystals within the Single-Walled Carbon Nanotube Channels L. V. Yashina, A. A. Eliseev, M. V. Kharlamova, A. A. Volykhov, A. V. Egorov, S. V. Savilov, A. V. Lukashin, R. Puettner, A. I. Belogorokhov The Journal of Physical Chemistry C 115 (2011) 3578–3586 |
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| The oxidation of the PbS(001) surface with O2 and air studied with photoelectron spectroscopy and ab initio modeling Lada V. Yashina, Alexander S. Zyubin, Ralph Püttner, Tatiana S. Zyubina, Vera S. Neudachina, Petar Stojanov, John Riley, Sergey N. Dedyulin, Maria M. Brzhezinskaya and Vladimir I. Shtanov Surface Science, Volume 605, Issues 5-6, March 2011, Pages 473-482 DOI |
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| Cyclic Dimers of Tetrafluorobutatriene Christian Ehm and Dieter Lentz Theoretical Chemical Accounts (2011) DOI |
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Systematics, ecology and evolution of Heliotropium sect. Cochranea (Heliotropiaceae) and the biogeography of the Atacama Desert Federico Luebert Dissertation, Freie Universität Berlin (2010) Link |
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Nonlinear modelling of target leverage with latent determinant variables — new evidence on the trade-off theory Ralf Sabiwalsky Review of Fin. Econ. 19, 137-150 (2010) DOI |
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Fluorinated Butatrienes Christian Ehm Dissertation, Freie Universität Berlin (2010) Link |
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Merging Implicit with Explicit Solvent Simulations: Polyethylene Glycol Alok Juneja, Jorge Numata, Lennart Nilsson and Ernst Walter Knapp J. Chem. Theory Comput., Article ASAP (2010) Link |
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| Partially Fluorinated Butatrienes: A Coupled Cluster Study Christian Ehm and Dieter Lentz J. Phys. Chem. A, Article ASAP (2010) Link |
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Mechanistic insight into light-driven molecular rotors: a conformational search in chiral overcrowded alkenes by a pseudo-random approach Guillermo Pérez-Hernández and Leticia Gonzalez Phys. Chem. Chem. Phys., 2010, 12, 12279–12289 DOI |
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| The Two Structures of the Hexafluorobenzene Radical Cation, C6F6+ H. Shorafa, D. Mollenhauer, B. Paulus, K. Seppelt Angew. Chem. Int. Ed. 48, 5845 (2009) DOI |
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| Temperature, Surface, and Coverage-Induced Conformational Changes of Azobenzene Derivatives on Cu(001) M. Piantek, J. Miguel, A. Krüger, C. Navío, M. Bernien, D. K. Ball, K. Hermann, and W. Kuch J. Phys. Chem C 113, 20307 (2009) Link |
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| Reversing the Thermal Stability of a Molecular Switch on a Gold Surface: Ring-Opening Reaction of Nitrospiropyran M. Piantek, G. Schulze, M. Koch, K. J. Franke, F. Leyssner, A. Krüger, C. Navío, J. Miguel, M. Bernien, M. Wolf, W. Kuch, P. Tegeder, and J.I. Pascual J. Am. Chem. Soc. 131, 12729 (2009) Link |
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| Femtosecond polarization resolved spectroscopy: A tool for determination of the 3D orientation of electronic transition dipole moments and identification of configurational isomers M. Theisen, M. Linke, M. Kerbs, H. Fidder, M.M. El-Amine, A. Zacarias and K. Heyne J. Chem. Phys. Vol. 131, Article 124511 (2009) Link |
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Assessment of transmission distortion on chromosome 6p in healthy individuals using tagSNPs P.S. Santos, J. Höhne, P. Schlattmann, I.R. König, A. Ziegler, B. Uchanska-Ziegler, A. Ziegler European Journal of Human Genetics advance online publication 4 March 2009 DOI |
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| A Combined Photoelectron Spectroscopy and ab Initio Study of the Adsorbate System O2/PbTe(001) and the Oxide Layer Growth Kinetics Lada V. Yashina, Tatiana S. Zyubina, Ralph Püttner, Alexander S. Zyubin, Vladimir I. Shtanov and Egor V. Tikhonov J. Phys. Chem. C, 2008, 112 (50), pp 19995–20006 DOI |
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| Selenirenium and Tellurirenium Ions H. Poleschner, K. Seppelt Angewandte Chemie (International ed. in English) 2008;47(34):6461-4 DOI |
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| Well-Defined Stibonic and Tellurinic Acids J. Beckmann, P. Finke, M. Hesse, B. Wettig Angew. Chem. Int. Ed. 2008, 47, 9982-9984 DOI |
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| Aryltellurenyl Cation stabilized by N-Heterocyclic Carbene J. Beckmann, P. Finke, S. Heitz, M. Hesse Eur. J. Inorg. Chem. 2008, 1921-1925 DOI |
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| Three-Dimensional Orientation of the Qy Electronic Transition Dipole Moment within the Chlorophyll a Molecule Determined by Femtosecond Polarization Resolved VIS Pump-IR Probe Spectroscopy M. Linke, A. Lauer, T. v. Haimberger, A. Zacarias und K. Heyne J. Am. Chem. Soc., 2008, 130 (45), pp 14904-14905 Link |
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| Experimental Evidence of the Applicability of Colebrook and Borda Carnot-Type Head Loss Formulas in Transient Slug Test Analysis M.A. Zenner Journal of Hydraulic Engineering, Vol. 134, No. 5, p. 644-651, ASCE (2008) Link |
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| Formation of Mixed Valent Aryltellurenyl Halides RX2TeTeR (X = Cl, Br; R = Ph, 2,6-Mes2C6H3) J. Beckmann, M. Hesse, H. Poleschner, K. Seppelt Angew. Chem. Int. Ed. 2007, 46, 8277-8280 DOI |
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| First Detection of a Selenenyl Fluoride Ar-Se-F, by NMR Spectroscopy: The Nature of Ar2Se2/XeF2 and ArSe-SiMe3/XeF2 Reagents H. Poleschner, K. Seppelt Chem. Europ. J. 2004, 10, 6565-6574 Link |
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| Analysis of Slug Tests in Bypassed Wells M.A. Zenner Journal of Hydrology, Vol. 263, p. 72-91, Elsevier (2002) Link |