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.
 



460 entries found
with the tags: Universität Wien x
  • 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)
  • 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)
  • 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)
  • 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)
  • 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)
  • 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)
  • Bjoerkman Torbjoern, Kurasch Simon, Lehtinen Ossi, Kotakoski Jani, Yazyev Oleg V., Srivastava Anchal, Skakalova Viera, Smet Jurgen H., Kaiser Ute, Krasheninnikov Arkady V.
    Defects in bilayer silica and graphene: common trends in diverse hexagonal two-dimensional systems (vol 3, 3482)
    SCIENTIFIC REPORTS 4, 5523 (2014)
  • Prevedel Robert, Yoon Young-Gyu, Hoffmann Maximilian, Pak Nikita, Wetzstein Gordon, Kato Saul, Schroedel Tina, Raskar Ramesh, Zimmer Manuel, Boyden Edward S., Vaziri Alipasha
    Simultaneous whole-animal 3D imaging of neuronal activity using light-field microscopy
    NATURE METHODS 11, 727 (2014)
  • Gruenwald Michael, Geissler Phillip L.
    Patterns without Patches: Hierarchical Self-Assembly of Complex Structures from Simple Building Blocks
    ACS NANO 8, 5891 (2014)
  • Kamsri P., Koohatammakun N., Srisupan A., Meewong P., Punkvang A., Saparpakorn P., Hannongbua S., Wolschann P., Prueksaaroon S., Leartsakulpanich U., Pungpo P.
    Rational design of InhA inhibitors in the class of diphenyl ether derivatives as potential anti-tubercular agents using molecular dynamics simulations
    SAR AND QSAR IN ENVIRONMENTAL RESEARCH 25, 473 (2014)
  • Horn Shawn, Plasser Felix, Mueller Thomas, Libisch Florian, Burgdoerfer Joachim, Lischka Hans
    A comparison of singlet and triplet states for one- and two-dimensional graphene nanoribbons using multireference theory
    THEORETICAL CHEMISTRY ACCOUNTS 133, 1 (2014)
  • Sega M., Kantorovich S. S., Holm C., Arnold A.
    Communication: Kinetic and pairing contributions in the dielectric spectra of electrolyte solutions
    JOURNAL OF CHEMICAL PHYSICS 140, 211101 (2014)
  • Ke Song, Stary-Weinzinger Anna
    A Novel Gating Mechanism of the NaVMs Selectivity Filter Suggested by Molecular Dynamics Simulations
    BIOPHYSICAL JOURNAL 106, 131A (2014)
  • Sangpheak Waratchada, Khuntawee Wasinee, Wolschann Peter, Pongsawasdi Piamsook, Rungrotmongkol Thanyada
    Enhanced stability of a naringenin/2,6-dimethyl beta-cyclodextrin inclusion complex: Molecular dynamics and free energy calculations based on MM- and QM-PBSA/GBSA
    JOURNAL OF MOLECULAR GRAPHICS & MODELLING 50, 10 (2014)
  • Mai Sebastian, Marquetand Philipp, Gonzalez Leticia
    Non-adiabatic and intersystem crossing dynamics in SO2. II. The role of triplet states in the bound state dynamics studied by surface-hopping simulations
    JOURNAL OF CHEMICAL PHYSICS 140, 204302 (2014)
  • Poier Peter, Likos Christos N., Matthews Richard
    Influence of Rigidity and Knot Complexity on the Knotting of Confined Polymers
    MACROMOLECULES 47, 3394 (2014)
  • Geiger Philipp, Dellago Christoph, Macher Markus, Franchini Cesare, Kresse Georg, Bernard Juergen, Stern Josef N., Loerting Thomas
    Proton Ordering of Cubic Ice Ic: Spectroscopy and Computer Simulations
    JOURNAL OF PHYSICAL CHEMISTRY C 118, 10989 (2014)
  • Exl Lukas, Abert Claas, Mauser Norbert J., Schrefl Thomas, Stimming Hans Peter, Suess Dieter
    FFT-based Kronecker product approximation to micromagnetic long-range interactions
    MATHEMATICAL MODELS & METHODS IN APPLIED SCIENCES 24, 1877 (2014)
  • Kotakoski J., Eder F. R., Meyer J. C.
    Atomic structure and energetics of large vacancies in graphene
    PHYSICAL REVIEW B 89, 201406 (2014)
  • Alaghaz Abdel-Nasser M. A., Ammar Reda A. A., Koehler Gottfried, Wolschann Karl Peter, El-Gogary Tarek M.
    Synthesis, spectral and quantum chemical studies on NO-chelating sulfamonomethoxine-cyclophosph(V)azane and its Er(III) complex
    SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY 128, 724 (2014)
  • Aeschbacher Simon, Buerger Reinhard
    The Effect of Linkage on Establishment and Survival of Locally Beneficial Mutations
    GENETICS 197, 317 (2014)
  • Exl Lukas, Bance Simon, Reichel Franz, Schrefl Thomas, Stimming Hans Peter, Mauser Norbert J.
    LaBonte's method revisited: An effective steepest descent method for micromagnetic energy minimization
    JOURNAL OF APPLIED PHYSICS 115, 17D118 (2014)
  • Eckhardt C., Hummer K., Kresse G.
    Indirect-to-direct gap transition in strained and unstrained SnxGe1-x alloys
    PHYSICAL REVIEW B 89, 165201 (2014)

Search results 211 until 240 of 460