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Journal Article (31)

  1. 2017
    Journal Article
    Baranov, A. I.; Martin Pendas, A.: Electron sharing and localization in real space for the Mott transition from 1RDMFT periodic calculations. Theoretical Chemistry Accounts 136 (9), 96, pp. 1 - 10 (2017)
  2. Journal Article
    Finzel, K.; Baranov, A. I.: A simple model for the Slater exchange potential and its performance for solids. International Journal of Quantum Chemistry 117 (1), pp. 40 - 47 (2017)
  3. Journal Article
    Pielnhofer, F.; Menshchikova, T. V.; Rusinov, I. P.; Zeugner, A.; Sklyadneva, I. Y.; Heid, R.; Bohnen, K.-P.; Golub, P.; Baranov, A.; Chulkov, E. V. et al.; Pfitzner, A.; Ruck, M.; Isaeva, A.: Designing 3D topological insulators by 2D-Xene (X = Ge, Sn) sheet functionalization in GaGeTe-type structures. Journal of Materials Chemistry C 5 (19), pp. 4752 - 4762 (2017)
  4. Journal Article
    Roslova, M.; Golub, P.; Opherden, L.; Ovchinnikov, A.; Uhlarz, M.; Baranov, A. I.; Prots, Y.; Isaeva, A.; Coduri, M.; Herrmannsdörfer, T. et al.; Wosnitza, J.; Doert, T.; Ruck, M.: Synthesis of a Cu-Filled Rh17S15 Framework: Microwave Polyol Process Versus High-Temperature Route. Inorganic Chemistry 56 (19), pp. 11513 - 11523 (2017)
  5. 2016
    Journal Article
    Castillo, R.; Baranov, A. I.; Burkhardt, U.; Cardoso-Gil, R.; Schnelle, W.; Bobnar, M.; Schwarz, U.: Germanium Dumbbells in a New Superconducting Modification of BaGe3. Inorganic Chemistry 55 (9), pp. 4498 - 4503 (2016)
  6. Journal Article
    Castillo, R.; Schnelle, W.; Baranov, A. I.; Burkhardt, U.; Bobnar, M.; Cardoso-Gil, R.; Schwarz, U.; Grin, Y.: Trigermanides AEGe3 (AE = Ca, Sr, Ba): chemical bonding and superconductivity. Zeitschrift für Naturforschung, B: A Journal of Chemical Sciences 71 (5), pp. 585 - 592 (2016)
  7. Journal Article
    Golub, P.; Baranov, A. I.: Domain overlap matrices from plane-wave-based methods of electronic structure calculation. The Journal of Chemical Physics 145 (15), 154107, pp. 1 - 10 (2016)
  8. Journal Article
    Grin, Y.; Armbrüster, M.; Baranov, A. I.; Finzel, K.; Kohout, M.; Ormeci, A.; Rosner, H.; Wagner, F. R.: Atomic interactions in the intermetallic catalyst GaPd. Molecular Physics 114 (7-8), pp. 1250 - 1259 (2016)
  9. 2015
    Journal Article
    Castillo, R.; Baranov, A. I.; Burkhardt, U.; Grin, Y.; Schwarz, U.: Triangular Ge3 Units in a New Modification of EuGe3. Zeitschrift für anorganische und allgemeine Chemie 641 (2), pp. 355 - 361 (2015)
  10. Journal Article
    Terlan, B.; Akselrud, L.; Baranov, A. I.; Borrmann, H.; Grin, Y.: On the transferability of electron density in binary vanadium borides VB, V3B4 and VB2. Acta Crystallographica Section B 71 (6), pp. 777 - 787 (2015)
  11. 2014
    Journal Article
    Baranov, A. I.: Electron Localizability Indicators from Spinor Wavefunctions. Journal of Computational Chemistry 35 (7), pp. 565 - 585 (2014)
  12. Journal Article
    Kaiser, M.; Baranov, A. I.; Ruck, M.: Bi2Pt(hP9) by Low-Temperature Reduction of Bi13Pt3I7: Reinvestigation of the Crystal Structure and Chemical Bonding Analysis. Zeitschrift für anorganische und allgemeine Chemie 640 (14), pp. 2742 - 2746 (2014)
  13. 2013
    Journal Article
    Terlan, B.; Akselrud, L.; Baranov, A. I.; Borrmann, H.; Grin, Y.: Experimental QTAIM Analysis of the Electron Density in TiB2. Zeitschrift für Anorganische und Allgemeine Chemie 639 (11 Sp. Iss. SI), pp. 2065 - 2070 (2013)
  14. Journal Article
    Wagner, F. R.; Baranov, A. I.; Grin, Y.; Kohout, M.: A Position-Space View on Chemical Bonding in Metal Diborides with AlB2 Type of Crystal Structure. Zeitschrift für Anorganische und Allgemeine Chemie 639 (11 Sp. Iss. SI), pp. 2025 - 2035 (2013)
  15. 2012
    Journal Article
    Baranov, A. I.; Ponec, R.; Kohout, M.: Domain-averaged Fermi-hole analysis for solids. 21, 214109, pp. 214109-1 - 214109-12 (2012)
  16. Journal Article
    Köhler, D.; Heise, M.; Baranov, A. I.; Luo, Y.; Geiger, D.; Ruck, M.; Armbrüster, M.: Synthesis of BiRh nanoplates with superior catalytic performance in the semihydrogenation of acetylene. 9, pp. 1639 - 1644 (2012)
  17. Journal Article
    Schwarz, U.; Wosylus, A.; Rosner, H.; Schnelle, W.; Ormeci, A.; Meier, K.; Baranov, A.; Nicklas, M.; Leipe, S.; Müller, C. J. et al.; Grin, Y.: Dumbbells of Five-Connected Silicon Atoms and Superconductivity in the Binary Silicides MSi3 (M = Ca, Y, Lu). Journal of the American Chemical Society 134 (33), pp. 13558 - 13561 (2012)
  18. 2011
    Journal Article
    Baranov, A. I.; Kohout, M.: Electron localization and delocalization indices for solids. Journal of Computational Chemistry 32 (10), pp. 2064 - 2076 (2011)
  19. Journal Article
    Günther, A.; Isaeva, A.; Baranov, A. I.; Ruck, M.: Neutral Tellurium Rings in the Coordination Polymers [Ru(Te9)](InCl4)2, [Ru(Te8)]Cl2, and [Rh(Te6)]Cl3. Chemistry - A European Journal 17 (23), pp. 6382 - 6388 (2011)
  20. Journal Article
    Höhn, P.; Agrestini, S.; Baranov, A.; Hoffmann, S.; Kohout, M.; Nitsche, F.; Wagner, F. R.; Kniep, R.: Sr2Ni3—A Strontium Subnickelide? Chemistry - A European Journal 17 (12), pp. 3347 - 3351 (2011)
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