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.

372 entries found
with the tags: Universität Wien x
  • Cooper Paige E, McClenaghan Conor, Chen Xingyu, Stary-Weinzinger Anna, Nichols Colin G
    Conserved functional consequences of disease-associated mutations in the slide-helix of Kir6.1 and Kir6.2 subunits of the ATP-sensitive potassium channel.
    The Journal of biological chemistry None, (2017)
  • Gardner Alison, Wu Wei, Thomson Steven, Zangerl-Plessl Eva-Maria, Stary-Weinzinger Anna, Sanguinetti Michael
    Molecular basis of altered hERG1 channel gating induced by ginsenoside Rg3.
    Molecular pharmacology None, (2017)
  • Mirzayev Rasim, Mustonen Kimmo, Monazam Mohammad R A, Mittelberger Andreas, Pennycook Timothy J, Mangler Clemens, Susi Toma, Kotakoski Jani, Meyer Jannik C
    Buckyball sandwiches.
    Science advances 3, e1700176 (2017)
  • Das Anita, Muller 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 None, (2017)
  • Georgieva Ivelina, Aquino Adelia J A, Trendafilova Natasha, Lischka Hans
    High-level Ab Initio Absorption Spectra Simulations of Neutral, Anionic and Neutral+ Chromophore of Green Fluorescence Protein Chromophore Models in Gas Phase and Solution.
    Photochemistry and photobiology None, (2017)
  • Bernsteiner Harald, Brundl Michael, Stary-Weinzinger Anna
    Dynamics of the EAG1 K
    Biochemical and biophysical research communications 484, 107 (2017)
  • Torres-Dias Abraao C., Cerqueira Tiago F. T., Cui Wenwen, Marques Miguel A. L., Botti Silvana, Machon Denis, Hartmann Markus A., Sun Yiwei, Dunstan David J., San-Miguel Alfonso
    From mesoscale to nanoscale mechanics in single-wall carbon nanotubes
    CARBON 123, 145 (2017)
  • Powell Andrew D., Dattani Nikesh S., Spada Rene F. K., Machado Francisco B. C., Lischka Hans, Dawes Richard
    Investigation of the ozone formation reaction pathway: Comparisons of full configuration interaction quantum Monte Carlo and fixed-node diffusion Monte Carlo with contracted and uncontracted MRCI
    JOURNAL OF CHEMICAL PHYSICS 147, 094306 (2017)
  • Rab Ch., Elbakyan V., Vorobyov E., Guedel M., Dionatos O., Audard M., Kamp I., Thi W. -F., Woitke P., Postel A.
    The chemistry of episodic accretion in embedded objects 2D radiation thermo-chemical models of the post-burst phase
    ASTRONOMY & ASTROPHYSICS 604, A15 (2017)
  • Rab Ch., Guedel M., Padovani M., Kamp I., Thi W. -F., Woitke P., Aresu G.
    Stellar energetic particle ionization in protoplanetary disks around T Tauri stars
    ASTRONOMY & ASTROPHYSICS 603, A96 (2017)
  • Pinheiro Max Jr., Ferrao Luiz F. A., Bettanin Fernanda, Aquino Adelia J. A., Machado Francisco B. C., Lischka Hans
    How to efficiently tune the biradicaloid nature of acenes by chemical doping with boron and nitrogen
  • 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)
  • 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
  • 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
  • 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)
  • Wiebeler Christian, Plasser Felix, Hedley Gordon J., Ruseckas Arvydas, Samuel Ifor D. W., Schumacher Stefan
    Ultrafast Electronic Energy Transfer in an Orthogonal Molecular Dyad
  • Marquetand Philipp, Nogueira Juan J., Mai Sebastian, Plasser Felix, Gonzalez Leticia
    Challenges in Simulating Light-Induced Processes in DNA
    MOLECULES 22, 49 (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)
  • 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
  • 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
  • Ivan Coluzza
    Computational protein design: a review
    Journal of Physics: Condensed Matter
  • Kupka, Friedrich

  • 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
    5KUM: Crystal Structure of Inward Rectifier Kir2.2 K62W Mutant In Complex with PIP2
    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

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