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.
 

117 entries found
with the tags: 2016 x
  • Hehn Iris, Schuster Swen, Waechter Tobias, Abu-Husein Tarek, Terfort Andreas, Zharnikov Michael, Zojer Egbert
    Employing X-ray Photoelectron Spectroscopy for Determining Layer Homogeneity in Mixed Polar Self-Assembled Monolayers
    JOURNAL OF PHYSICAL CHEMISTRY LETTERS 7, 2994 (2016)
    VSC projects: 70706, 70819
  • Saxena P., Zangerl-Plessl E. -M., Linder T., Windisch A., Hohaus A., Timin E., Hering S., Stary-Weinzinger A.
    New potential binding determinant for hERG channel inhibitors
    SCIENTIFIC REPORTS 6, 24182 (2016)
    VSC project: 70405
  • Gershkov Alex, Li Jianpei, Schweinzer Paul
    How to share it out: The value of information in teams
    JOURNAL OF ECONOMIC THEORY 162, 261 (2016)
    VSC project: 70906
  • Dolnicar Sara, Gruen Bettina, Leisch Friedrich
    Increasing sample size compensates for data problems in segmentation studies
    JOURNAL OF BUSINESS RESEARCH 69, 992 (2016)
    VSC project: 70419
  • Lee SJ, Ren F, Zangerl-Plessl EM, Heyman S, Stary-Weinzinger A, Yuan P, Nichols CG
    5KUK: Crystal Structure of Inward Rectifier Kir2.2 K62W Mutant
    Worldwide Protein Data Bank None, (2016)
  • Holzer Brigitte, Bintinger Johannes, Lumpi Daniel, Choi Christopher, Kim Youngwan, Stoger Berthold, Hametner Christian, Marchetti-Deschmann Martina, Plasser Felix, Horkel Ernst, Kymissis Ioannis, Frohlich Johannes
    Color Fine-Tuning of Optical Materials Through Rational Design.
    Chemphyschem : a European journal of chemical physics and physical chemistry None, (2016)
  • Menzl Georg, Singraber Andreas, Dellago Christoph
    S-shooting: a Bennett-Chandler-like method for the computation of rate constants from committor trajectories.
    Faraday discussions None, (2016)
    VSC project: 70754
  • Lee Sun-Joo, Ren Feifei, Zangerl-Plessl Eva-Maria, Heyman Sarah, Stary-Weinzinger Anna, Yuan Peng, Nichols Colin G
    Structural basis of control of inward rectifier Kir2 channel gating by bulk anionic phospholipids.
    The Journal of general physiology 148, 227 (2016)
  • Denk Christoph, Svatunek Dennis, Mairinger Severin, Stanek Johann, Filip Thomas, Matscheko Dominik, Kuntner Claudia, Wanek Thomas, Mikula Hannes
    Design, Synthesis, and Evaluation of a Low-Molecular-Weight (11)C-Labeled Tetrazine for Pretargeted PET Imaging Applying Bioorthogonal in Vivo Click Chemistry.
    Bioconjugate chemistry 27, 1707 (2016)
  • Lejaeghere Kurt, Bihlmayer Gustav, Bjorkman Torbjorn, Blaha Peter, Blugel Stefan, Blum Volker, Caliste Damien, Castelli Ivano E, Clark Stewart J, Dal Corso Andrea, de Gironcoli Stefano, Deutsch Thierry, Dewhurst John Kay, Di Marco Igor, Draxl Claudia, Dul
    Reproducibility in density functional theory calculations of solids.
    Science (New York, N.Y.) 351, aad3000 (2016)
  • Ruckenbauer Matthias, Mai Sebastian, Marquetand Philipp, Gonzalez Leticia
    Photoelectron spectra of 2-thiouracil, 4-thiouracil, and 2,4-dithiouracil.
    The Journal of chemical physics 144, 074303 (2016)
  • Huerta-Cepas Jaime, Szklarczyk Damian, Forslund Kristoffer, Cook Helen, Heller Davide, Walter Mathias C, Rattei Thomas, Mende Daniel R, Sunagawa Shinichi, Kuhn Michael, Jensen Lars Juhl, von Mering Christian, Bork Peer
    eggNOG 4.5: a hierarchical orthology framework with improved functional annotations for eukaryotic, prokaryotic and viral sequences.
    Nucleic acids research 44, D286 (2016)
  • Rab Christian, Baldovin-Saavedra Carla, Dionatos Odysseas, Vorobyov Eduard, Gudel Manuel
    The Gas Disk: Evolution and Chemistry
    SPACE SCIENCE REVIEWS 205, 3 (2016)
  • Menzl Georg, Dellago Christoph
    Effect of entropy on the nucleation of cavitation bubbles in water under tension
    JOURNAL OF CHEMICAL PHYSICS 145, 211918 (2016)
  • Carpen-Amarie Alexandra, Hunold Sascha, Traeff Jesper Larsson
    On the Expected and Observed Communication Performance with MPI Derived Datatypes
    PROCEEDINGS OF THE 23RD EUROPEAN MPI USERS' GROUP MEETING (EUROMPI 2016) None, 108 (2016)
  • Prugger Martina, Einkemmer Luk, Ostermann Alexander
    Evaluation of the partitioned global address space (PGAS) model for an inviscid Euler solver
    PARALLEL COMPUTING 60, 22 (2016)
  • Matkovic Aleksandar, Genser Jakob, Lueftner Daniel, Kratzer Markus, Gajic Rados, Puschnig Peter, Teichert Christian
    Epitaxy of highly ordered organic semiconductor crystallite networks supported by hexagonal boron nitride
    SCIENTIFIC REPORTS 6, 38519 (2016)
  • Ruh Thomas, Blaha Peter
    Evaluating Eigensolver Schemes within the Density Functional Theory Package WIEN2k
    2016 INTERNATIONAL CONFERENCE ON HIGH PERFORMANCE COMPUTING & SIMULATION (HPCS 2016) None, 973 (2016)
  • Goger Brigitta, Rotach Mathias W., Gohm Alexander, Stiperski Ivana, Fuhrer Oliver
    Current Challenges for Numerical Weather Prediction in Complex Terrain: Topography Representation and Parameterizations
    2016 INTERNATIONAL CONFERENCE ON HIGH PERFORMANCE COMPUTING & SIMULATION (HPCS 2016) None, 890 (2016)
  • Altarawneh Derar, Engelhardt Michael, Hoellwieser Roman
    Model of random center vortex lines in continuous 2+1-dimensional spacetime
    PHYSICAL REVIEW D 94, 114506 (2016)
  • Hunold Sascha, Carpen-Amarie Alexandra, Luebbe Felix Donatus, Traeff Jesper Larsson
    Automatic Verification of Self-consistent MPI Performance Guidelines
    EURO-PAR 2016: PARALLEL PROCESSING 9833, 433 (2016)
  • Chen Xiangyu, Ruider Stefan A., Hartmann Rolf W., Gonzalez Leticia, Maulide Nuno
    Metal-Free meta-Selective Alkyne Oxyarylation with Pyridine N-Oxides: Rapid Assembly of Metyrapone Analogues
    ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 55, 15424 (2016)
  • Menzl Georg, Gonzalez Miguel A., Geiger Philipp, Caupin Frederic, Abascal Jose L. F., Valeriani Chantal, Dellago Christoph
    Molecular mechanism for cavitation in water under tension
    PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA 113, 13582 (2016)
  • Schoenauer K., Weiss S., Feyer V., Lueftner D., Stadtmueller B., Schwarz D., Sueyoshi T., Kumpf C., Puschnig P., Ramsey M. G., Tautz F. S., Soubatch S.
    Charge transfer and symmetry reduction at the CuPc/Ag(110) interface studied by photoemission tomography
    PHYSICAL REVIEW B 94, 205144 (2016)
  • Gall Johannes, Zeppenfeld Peter, Sun Lidong, Zhang Li, Luo Yang, Dong Zhenchao, Hu Chunguang, Puschnig Peter
    Spectroscopic STM studies of single pentacene molecules on Cu(110)-c(6 x 2)O
    PHYSICAL REVIEW B 94, 195441 (2016)
  • Scheiber D., Pippan R., Puschnig P., Romaner L.
    Ab initio search for cohesion-enhancing impurity elements at grain boundaries in molybdenum and tungsten
    MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING 24, 085009 (2016)
  • Ules Thomas, Lueftner Daniel, Reinisch Eva Maria, Koller Georg, Puschnig Peter, Ramsey Michael G.
    Continuous or discrete: Tuning the energy level alignment of organic layers with alkali dopants
    PHYSICAL REVIEW B 94, 205405 (2016)
  • Rupp Karl, Tillet Philippe, Rudolf Florian, Weinbub Josef, Morhammer Andreas, Grasser Tibor, Juengel Ansgar, Selberherr Siegfried
    VIENNACL-LINEAR ALGEBRA LIBRARY FOR MULTI- AND MANY-CORE ARCHITECTURES
    SIAM JOURNAL ON SCIENTIFIC COMPUTING 38, S412 (2016)
  • Leukauf Daniel, Gohm Alexander, Rotach Mathias W.
    Quantifying horizontal and vertical tracer mass fluxes in an idealized valley during daytime
    ATMOSPHERIC CHEMISTRY AND PHYSICS 16, 13049 (2016)
  • Crouseilles Nicolas, Einkemmer Lukas, Faou Erwan
    An asymptotic preserving scheme for the relativistic Vlasov-Maxwell equations in the classical limit
    COMPUTER PHYSICS COMMUNICATIONS 209, 13 (2016)

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