Publications obtained by using VSC

Here are the scientific Publications of the various Projects on the VSC, while a collection of interesting articles for the general audience can be found in the main menu at Presscorner.
 



859 entries found
with the tags:
  • Scholtzova Eva, Madejova Jana, Tunega Daniel
    Structural properties of montmorillonite intercalated with tetraalkylammonium cations-Computational and experimental study
    VIBRATIONAL SPECTROSCOPY 74, 120 (2014)
  • Wiesenberger M., Madsen J., Kendl A.
    Radial convection of finite ion temperature, high amplitude plasma blobs
    PHYSICS OF PLASMAS 21, 092301 (2014)
  • Denk Christoph, Svatunek Dennis, Filip Thomas, Wanek Thomas, Lumpi Daniel, Froehlich Johannes, Kuntner Claudia, Mikula Hannes
    Development of a F-18-Labeled Tetrazine with Favorable Pharmacokinetics for Bioorthogonal PET Imaging
    ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 53, 9655 (2014)
  • Toson P., Wallisch W., Asali A., Fidler J.
    Modelling of Packed Co Nanorods for Hard Magnetic Applications
    JEMS 2013 - JOINT EUROPEAN MAGNETIC SYMPOSIA 75, 03002 (2014)
  • Abert Claas, Hrkac Gino, Page Marcus, Praetorius Dirk, Ruggeri Michele, Suess Dieter
    Spin-polarized transport in ferromagnetic multilayers: An unconditionally convergent FEM integrator
    COMPUTERS & MATHEMATICS WITH APPLICATIONS 68, 639 (2014)
  • Kuhlmann Hendrik C., Mukin Roman V., Sano Tomoaki, Ueno Ichiro
    Structure and dynamics of particle-accumulation in thermocapillary liquid bridges
    FLUID DYNAMICS RESEARCH 46, 041421 (2014)
  • Bruckner F., Suess D., Feischl M., Fuehrer T., Goldenits P., Page M., Praetorius D., Ruggeri M.
    Multiscale modeling in micromagnetics: Existence of solutions and numerical integration
    MATHEMATICAL MODELS & METHODS IN APPLIED SCIENCES 24, (2014)
  • Bedolla Pedro O., Feldbauer Gregor, Wolloch Michael, Gruber Christoph, Eder Stefan J., Doerr Nicole, Mohn Peter, Redinger Josef, Vernes Andras
    Density Functional Investigation of the Adsorption of Isooctane, Ethanol, and Acetic Acid on a Water-Covered Fe(100) Surface
    JOURNAL OF PHYSICAL CHEMISTRY C 118, 21428 (2014)
  • Stoeger Bernhard, Hieckel Marcel, Mittendorfer Florian, Wang Zhiming, Fobes David, Peng Jin, Mao Zhiqiang, Schmid Michael, Redinger Josef, Diebold Ulrike
    High Chemical Activity of a Perovskite Surface: Reaction of CO with Sr3Ru2O7
    PHYSICAL REVIEW LETTERS 113, 116101 (2014)
  • Aquino Adelia A. J., Borges Itamar Jr., Nieman Reed, Koehn Andreas, Lischka Hans
    Intermolecular interactions and charge transfer transitions in aromatic hydrocarbon-tetracyanoethylene complexes
    PHYSICAL CHEMISTRY CHEMICAL PHYSICS 16, 20586 (2014)
  • Susi Toma, Kotakoski Jani, Kepaptsoglou Demie, Mangler Clemens, Lovejoy Tracy C., Krivanek Ondrej L., Zan Recep, Bangert Ursel, Ayala Paola, Meyer Jannik C., Ramasse Quentin
    Silicon-Carbon Bond Inversions Driven by 60-keV Electrons in Graphene
    PHYSICAL REVIEW LETTERS 113, UNSP 115501 (2014)
  • Lang P., Wojcik T., Povoden-Karadeniz E., Cirstea C. D., Kozeschnik E.
    Crystal structure and free energy of Ti2Ni3 precipitates in Ti-Ni alloys from first principles
    COMPUTATIONAL MATERIALS SCIENCE 93, 46 (2014)
  • Kinzel Daniel, Zilberg Shmuel, Gonzalez Leticia
    Gas-phase electrophilic aromatic substitution mechanism with strong electrophiles explained by ab initio non-adiabatic dynamics
    PHYSICAL CHEMISTRY CHEMICAL PHYSICS 16, 18686 (2014)
  • Kaltak Merzuk, Klimes Jiri, Kresse Georg
    Cubic scaling algorithm for the random phase approximation: Self-interstitials and vacancies in Si
    PHYSICAL REVIEW B 90, 054115 (2014)
  • Klimes Jiri, Kaltak Merzuk, Kresse Georg
    Predictive GW calculations using plane waves and pseudopotentials
    PHYSICAL REVIEW B 90, 075125 (2014)
  • Esterhazy S., Liu D., Liertzer M., Cerjan A., Ge L., Makris K. G., Stone A. D., Melenk J. M., Johnson S. G., Rotter S.
    Scalable numerical approach for the steady-state ab initio laser theory
    PHYSICAL REVIEW A 90, 023816 (2014)
  • Chawla Vipin, Holec David, Mayrhofer Paul H.
    The effect of interlayer composition and thickness on the stabilization of cubic AlN in AlN/Ti-Al-N superlattices
    THIN SOLID FILMS 565, 94 (2014)
  • Mai Sebastian, Mueller Thomas, Plasser Felix, Marquetand Philipp, Lischka Hans, Gonzalez Leticia
    Perturbational treatment of spin-orbit coupling for generally applicable high-level multi-reference methods
    JOURNAL OF CHEMICAL PHYSICS 141, 074105 (2014)
  • Lukacs Peter, Gawali Vaibhavkumar S., Cervenka Rene, Ke Song, Koenig Xaver, Rubi Lena, Zarrabi Touran, Hilber Karlheinz, Stary-Weinzinger Anna, Todt Hannes
    Exploring the Structure of the Voltage-gated Na+ Channel by an Engineered Drug Access Pathway to the Receptor Site for Local Anesthetics
    JOURNAL OF BIOLOGICAL CHEMISTRY 289, 21770 (2014)
  • Hasnain Jaffar, Jungblut Swetlana, Troester Andreas, Dellago Christoph
    Frictional dynamics of stiff monolayers: from nucleation dynamics to thermal sliding
    NANOSCALE 6, 10161 (2014)
  • Higueras Inmaculada, Happenhofer Natalie, Koch Othmar, Kupka Friedrich
    Optimized strong stability preserving IMEX Runge-Kutta methods
    JOURNAL OF COMPUTATIONAL AND APPLIED MATHEMATICS 272, 116 (2014)
  • Bedolla Pedro O., Feldbauer Gregor, Wolloch Michael, Eder Stefan J., Doerr Nicole, Mohn Peter, Redinger Josef, Vernes Andras
    Effects of van der Waals Interactions in the Adsorption of Isooctane and Ethanol on Fe(100) Surfaces
    JOURNAL OF PHYSICAL CHEMISTRY C 118, 17608 (2014)
  • Seibel C., Nuber A., Bentmann H., Mulazzi M., Blaha P., Sangiovanni G., Reinert F.
    Quantized electronic fine structure with large anisotropy in ferromagnetic Fe films
    PHYSICAL REVIEW B 90, 035136 (2014)
  • Reith D., Podloucky R., Marsman M., Bedolla-Velazquez P. O., Mohn P.
    Magnetic structure map for face-centered tetragonal iron: Appearance of a collinear spin structure
    PHYSICAL REVIEW B 90, 014432 (2014)
  • Ganahl Martin, Thunstroem Patrik, Verstraete Frank, Held Karsten, Evertz Hans Gerd
    Chebyshev expansion for impurity models using matrix product states
    PHYSICAL REVIEW B 90, 045144 (2014)
  • Ke Song, Timin E. N., Stary-Weinzinger Anna
    Different Inward and Outward Conduction Mechanisms in NaVMs Suggested by Molecular Dynamics Simulations
    PLOS COMPUTATIONAL BIOLOGY 10, e1003746 (2014)
  • Bliem Roland, Kosak Rukan, Perneczky Lukas, Novotny Zbynek, Gamba Oscar, Fobes David, Mao Zhiqiang, Schmid Michael, Blaha Peter, Diebold Ulrike, Parkinson Gareth S.
    Cluster Nucleation and Growth from a Highly Supersaturated Adatom Phase: Silver on Magnetite
    ACS NANO 8, 7531 (2014)
  • Libisch F., Geringer V., Subramaniam D., Burgdoerfer J., Morgenstern M.
    Diffractive-wave guiding of surface electrons on Au(111) by the herringbone reconstruction potential
    PHYSICAL REVIEW B 90, 035442 (2014)
  • Zakaria Slimani Mohammed, Bacova Petra, Bernabei Marco, Narros Arturo, Likos Christos N., Moreno Angel J.
    Cluster Glasses of Semiflexible Ring Polymers
    ACS MACRO LETTERS 3, 611 (2014)
  • Kneidinger F., Salamakha L., Bauer E., Zeiringer I., Rogl P., Blaas-Schenner C., Reith D., Podloucky R.
    Superconductivity in noncentrosymmetric BaAl4 derived structures
    PHYSICAL REVIEW B 90, 024504 (2014)

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