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  1. Mooßen, Oliver [Author] ; Dolg, Michael [Other]; Hanrath, Michael [Other]

    Interpretation of ab initio Calculations of Cerium Compounds and Predictive Power of Density Functional Theory Calculations for Iodine Catalysis

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    Köln: Universitäts- und Stadtbibliothek Köln, 2018

  2. Mittal, R. [Author]; Zbiri, M. [Author]; Hosono, H. [Author]; Brückel, T. [Author]; Rols, S. [Author]; Su, Y. [Author]; Xiao, Y. [Author]; Schober, H. [Author]; Chaplot, S.L. [Author]; Johnson, M. [Author]; Chatterji, T. [Author]; Matsuishi, S. [Author]

    Effects of magnetic doping and temperature dependence of phonon dynamics in CaFe1-xCoxAsF compounds (x=0, 0.06, and 0.12)

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    APS, 2009

    Published in: Physical review / B 79(21), 214514 (2009). doi:10.1103/PhysRevB.79.214514

  3. Prager, Stefan [Author] ; Dreuw, Andreas [Degree supervisor]

    Development of Frozen-Density Embedded Algebraic Diagrammatic Construction Schemes for Excited States and Quantum-Chemical Investigation of Photophysical Properties of Tetrathiaheterohelicenes

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    Heidelberg: Universitätsbibliothek Heidelberg, 2017

  4. Mittal, R. [Author]; Rols, S. [Author]; Hosono, H. [Author]; Johrendt, D. [Author]; Brückel, T. [Author]; Zbiri, M. [Author]; Su, Y. [Author]; Schober, H. [Author]; Chaplot, S.L. [Author]; Johnson, M [Author]; Tegel, M. [Author]; Chatterji, T. [Author]; Matsuishi, S. [Author]

    Phonon spectra in CaFe2As2 and Ca0.6Na0.4Fe2As2: Measurement of the pressure and temperature dependence and comparison with ab initio and shell model calculations

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    APS, 2009

    Published in: Physical review / B 79(14), 144516 (2009). doi:10.1103/PhysRevB.79.144516

  5. Mirhosseini, Hossein [Author] ; Henk, Jürgen [Degree supervisor]; Hergert, Wolfram [Degree supervisor]; Chulkov, Evgueni [Degree supervisor]

    Ab initio investigations of the Rashba spin-orbit coupling in the electronic structure of surfaces

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    Halle, Saale: Universitäts- und Landesbibliothek Sachsen-Anhalt, 2010

  6. Pototzky, Klaus Jochen [Author] ; Gross, E. [Degree supervisor]; Mertig, I. [Degree supervisor]; Frauenheim, T. [Degree supervisor]

    Time-dependent transport through quantum dots coupled to normal and superconducting leads

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    Halle, Saale: Universitäts- und Landesbibliothek Sachsen-Anhalt, 2015

  7. Wang, Xiangfei [Author]; Krause, Pascal [Author]; Kirschbaum, Thorren [Author]; Palczynski, Karol [Author]; Dzubiella, Joachim [Author]; Bande, Annika [Author]

    Photo-excited charge transfer from adamantane to electronic bound states in water - [published Version]

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    Cambridge : RSC Publ., 2024

    Published in: Physical Chemistry Chemical Physics 26 (2024), Nr. 10 ; Physical Chemistry Chemical Physics

  8. Ramanantoanina, Harry [Author]; Urland, Werner [Author]; Garcia-Fuente, Amador [Author]; Cimpoesu, Fanica [Author]; Daul, Claude [Author]

    Ligand field density functional theory for the prediction of future domestic lighting - [published Version]

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    Cambridge : Royal Society of Chemistry, 2014-05-13

    Published in: Physical Chemistry Chemical Physics 16 (2014), Nr. 28

  9. Jasper-Tönnies, Torben [Author] ; Berndt, Richard [Degree supervisor]; Magnussen, Olaf Magnus [Other]; Kröger, Jörg [Other]

    Exploring Structural, Electronic, and Switching Properties of Functionalized Platform and Fe(III) Spin-Crossover Molecules with a Scanning Tunneling Microscope

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    Kiel: Universitätsbibliothek Kiel, 2021