Sierka Lab – Computational Materials Science

Sierka Lab – Computational Materials Science

Multi-Scale Modeling of Complex Materials

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2011

76. Rainbow Scattering Under Axial Surface Channeling From a KCl(001) Surface
U. Specht, M. Busch, J. Seifert, A. Schüller, H. Winter, K. Gärtner, R. Włodarczyk, M. Sierka, J. Sauer
Phys. Rev. B, 2011, 84, 125440-1-125440-10
75. Local Hydroxyl Adsorption Geometry on TiO2(110)
W. Unterberger, T. J. Lerotholi, E. A. Kröger, M. J. Knight, D. A. Duncan, D. Kreikemeyer-Lorenzo, K. A. Hogan, D. C. Jackson, R. Włodarczyk, M. Sierka, J. Sauer, D. P. Woodruff
Phys. Rev. B, 2011, 84, 115461-1 – 115461-7
74. Fast Atom Diffraction During Grazing Scattering from a MgO(001) Surface
A. Schüller, D. Blauth, J. Seifert, M. Busch, H. Winter, K. Gärtner, R. Włodarczyk, J. Sauer, M. Sierka
Surf. Sci. 2011, 606, 161–173
73. Structures and Vibrational Spectroscopy of Partially Reduced Gas-Phase Cerium Oxide Clusters
A. M. Burow, T. Wende, M. Sierka, R. Włodarczyk, J. Sauer, P. Claes, L. Jiang, G. Meijer, P. Lievens, K. R. Asmis
Phys. Chem. Chem. Phys. 2011, 13, 19393-19400
72. Linear Scaling Hierarchical Integration Scheme For the Exchange-Correlation Term in Molecular and Periodic Systems
A. M. Burow, M. Sierka
J. Chem. Theory Comput. 2011, 7, 3097–3104
71. Electron Distribution in Partially Reduced Mixed Metal Oxide Systems: Infrared Spectroscopy of CemVnOo+ Gas Phase Clusters
J. Ling, T. Wende, S. Bhattacharyya, M. Sierka, G. Meijer, P. Lievens, J. Sauer, K. Asmis, C. Pieterjan
J. Phys. Chem. A 2011, 115, 11187-11192
70. Structures of the Ordered Water Monolayer on MgO(001)
R. Włodarczyk, M. Sierka, K. Kwapień, J. Sauer, E. Carrasco, A. Aumer, J. Gomes, M. Sterrer, H.-J. Freund
J. Phys. Chem. C 2011, 115, 6764–6774
69. An Organometallic Nanosized Capsule Consisting of cyclo-P5 Units and Copper(I) Ions
S. Welsch, C. Gröger, M. Sierka, M. Scheer
Angew. Chem. Int. Ed. 2011, 50, 1435–1438; Angew. Chem. 2011, 123, 1471–1474
68. Structural Diversity and Flexibility of MgO Gas-Phase Clusters
K. Kwapien, M. Sierka, J. Döbler, J. Sauer, M. Haertelt, A. Fielicke, G. Meijer
Angew. Chem. Int. Ed. 2011, 50, 1716–1719; Angew. Chem. 2011, 123, 1754–1757
67. Classical and quantum mechanical rainbow-scattering of fast He atoms from a KCl(001) surface
U. Specht, M. Busch, J. Seifert, H. Winter, K. Gärtner, R. Włodarczyk, M. Sierka, J. Sauer
Nucl. Instrum. Meth. B 2011, 269, 799-803
  • Address

    Computational Materials Science Group

    Otto Schott Institute of Materials Research

    Faculty of Physics and Astronomy

    Friedrich-Schiller-Universität Jena

    Löbdergraben 32

    D-07743 Jena

    Germany

  • Projects

    Priority Programme SPP 1959

    CRC 1278 - Polymer-based nanoparticle libraries for targeted anti-inflammatory strategies
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