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
  • Balao Francisco, Trucchi Emiliano, Wolfe Thomas M., Hao Bao-Hai, Lorenzo Maria Teresa, Baar Juliane, Sedman Laura, Kosiol Carolin, Amman Fabian, Chase Mark W., Hedren Mikael, Paun Ovidiu
    Adaptive sequence evolution is driven by biotic stress in a pair of orchid species (Dactylorhiza) with distinct ecological optima
    MOLECULAR ECOLOGY 26, 3649 (2017)
  • Susi Toma, Skakalova Viera, Mittelberger Andreas, Kotrusz Peter, Hulman Martin, Pennycook Timothy J., Mangler Clemens, Kotakoski Jani, Meyer Jannik C.
    Computational insights and the observation of SiC nanograin assembly: towards 2D silicon carbide
    SCIENTIFIC REPORTS 7, 4399 (2017)
  • Bianco Valentino, Franzese Giancarlo, Dellago Christoph, Coluzza Ivan
    Role of Water in the Selection of Stable Proteins at Ambient and Extreme Thermodynamic Conditions
    PHYSICAL REVIEW X 7, 021047 (2017)
  • Das Anita, Mueller Thomas, Plasser Felix, Krisiloff David B., Carter Emily A., Lischka Hans
    Local Electron Correlation Treatment in Extended Multireference Calculations: Effect of Acceptor-Donor Substituents on the Biradical Character of the Polycyclic Aromatic Hydrocarbon Heptazethrene
    JOURNAL OF CHEMICAL THEORY AND COMPUTATION 13, 2612 (2017)
  • Wirnsberger Peter, Fijan Domagoj, Lightwood Roger A., Saric Andela, Dellago Christoph, Frenkel Daan
    Numerical evidence for thermally induced monopoles
    PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA 114, 4911 (2017)
  • Sega Marcello, Dellago Christoph
    Long-Range Dispersion Effects on the Water/Vapor Interface Simulated Using the Most Common Models
    JOURNAL OF PHYSICAL CHEMISTRY B 121, 3798 (2017)
  • Moldaschl Michael, Prikopa Karl E., Gansterer Wilfried N.
    Fault tolerant communication-optimal 2.5D matrix multiplication
    JOURNAL OF PARALLEL AND DISTRIBUTED COMPUTING 104, 179 (2017)
  • Mewes Stefanie A., Plasser Felix, Dreuw Andreas
    Universal Exciton Size in Organic Polymers is Determined by Nonlocal Orbital Exchange in Time-Dependent Density Functional Theory
    JOURNAL OF PHYSICAL CHEMISTRY LETTERS 8, 1205 (2017)
  • Susi Toma, Hardcastle Trevor P., Hofsaess Hans, Mittelberger Andreas, Pennycook Timothy J., Mangler Clemens, Drummond-Brydson Rik, Scott Andrew J., Meyer Jannik C., Kotakoski Jani
    Single-atom spectroscopy of phosphorus dopants implanted into graphene
    2D MATERIALS 4, 021013 (2017)
  • Coluzza Ivan
    Computational protein design: a review
    JOURNAL OF PHYSICS-CONDENSED MATTER 29, 143001 (2017)
  • Wiebeler Christian, Plasser Felix, Hedley Gordon J., Ruseckas Arvydas, Samuel Ifor D. W., Schumacher Stefan
    Ultrafast Electronic Energy Transfer in an Orthogonal Molecular Dyad
    JOURNAL OF PHYSICAL CHEMISTRY LETTERS 8, 1086 (2017)
  • Marquetand Philipp, Nogueira Juan J., Mai Sebastian, Plasser Felix, Gonzalez Leticia
    Challenges in Simulating Light-Induced Processes in DNA
    MOLECULES 22, 49 (2017)
  • Holzer Brigitte, Bintinger Johannes, Lumpi Daniel, Choi Christopher, Kim Youngwan, Stoeger Berthold, Hametner Christian, Marchetti-Deschmann Martina, Plasser Felix, Horkel Ernst, Kymissis Ioannis, Froehlich Johannes
    Color Fine-Tuning of Optical Materials Through Rational Design
    CHEMPHYSCHEM 18, 549 (2017)
  • Elibol Kenan, Susi Toma, O'Brien Maria, Bayer Bernhard C., Pennycook Timothy J., McEvoy Niall, Duesberg Georg S., Meyer Jannik C., Kotakoski Jani
    Grain boundary-mediated nanopores in molybdenum disulfide grown by chemical vapor deposition
    NANOSCALE 9, 1591 (2017)
  • Hasnain Jaffar, Menzl Georg, Jungblut Swetlana, Dellago Christoph
    Crystallization and flow in active patch systems
    SOFT MATTER 13, 930 (2017)
  • Locatelli Emanuele, Handle Philip H., Likos Christos N., Sciortino Francesco, Rovigatti Lorenzo
    Condensation and Demixing in Solutions of DNA Nanostars and Their Mixtures
    ACS NANO 11, 2094 (2017)
  • Nieman Reed, Das Anita, Aquino Adelia J. A., Amorim Rodrigo G., Machado Francisco B. C., Lischka Hans
    Single and double carbon vacancies in pyrene as first models for graphene defects: A survey of the chemical reactivity toward hydrogen
    CHEMICAL PHYSICS 482, 346 (2017)
  • Luzanov Anatoliy V., Plasser Felix, Das Anita, Lischka Hans
    Evaluation of the quasi correlated tight-binding (QCTB) model for describing polyradical character in polycyclic hydrocarbons
    JOURNAL OF CHEMICAL PHYSICS 146, 064106 (2017)
  • Lemmerer B., Hanslmeier A., Muthsam H., Piantschitsch I.
    Dynamics of small-scale convective motions
    ASTRONOMY & ASTROPHYSICS 598, A126 (2017)
  • Schoellhammer Gunther, Herzig Peter, Wolf Walter
    First-principles structure optimization of scandium and lutetium trihydrides
    JOURNAL OF ALLOYS AND COMPOUNDS 696, 96 (2017)
  • Friedrich Kupka, Herbert J. Muthsam
    Modelling of stellar convection
    Springer Verlag
  • Bancelin, David; Pilat-Lohinger, Elke; Maindl, Thomas I.; Ragossnig, Florian; Schäfer, Christoph
    The Influence of Orbital Resonances on the Water Transport to Objects in the Circumprimary Habitable Zone of Binary Star Systems
    IOP
  • Kupka, Friedrich

    Springer
  • 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
  • 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)
  • 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)
  • 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)
  • Menzl Georg, Singraber Andreas, Dellago Christoph
    S-shooting: a Bennett-Chandler-like method for the computation of rate constants from committor trajectories
    FARADAY DISCUSSIONS 195, 345 (2016)
  • Rab Christian, Baldovin-Saavedra Carla, Dionatos Odysseas, Vorobyov Eduard, Gudel Manuel
    The Gas Disk: Evolution and Chemistry
    SPACE SCIENCE REVIEWS 205, 3 (2016)

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