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.
 

1215 entries found
with the tags:
  • Bianchi Emanuela, Capone Barbara, Coluzza Ivan, Rovigatti Lorenzo, van Oostrum Peter D. J.
    Limiting the valence: advancements and new perspectives on patchy colloids, soft functionalized nanoparticles and biomolecules
    PHYSICAL CHEMISTRY CHEMICAL PHYSICS 19, 19847 (2017)
  • Ferstl P., Mittendorfer F., Redinger J., Schneider M. A., Hammer L.
    Monatomic Co, CoO2, and CoO3 nanowires on Ir(100) and Pt(100) surfaces: Formation, structure, and energetics
    PHYSICAL REVIEW B 96, 085407 (2017)
  • Tran Fabien, Stelzl Julia, Koller David, Ruh Thomas, Blaha Peter
    Simple way to apply nonlocal van der Waals functionals within all-electron methods
    PHYSICAL REVIEW B 96, 054103 (2017)
  • Cabarcos Orlando M., Schuster Swen, Hehn Iris, Zhang Peng Peng, Maitani Masato M., Sullivan Nichole, Giguere Jean-Benoit, Morin Jean-Francois, Weiss Paul S., Zojer Egbert, Zhamikov Michael, Allara David L.
    Effects of Embedded Dipole Layers on Electrostatic Properties of Alkanethiolate Self-Assembled Monolayers
    JOURNAL OF PHYSICAL CHEMISTRY C 121, 15815 (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
    PHYSICAL CHEMISTRY CHEMICAL PHYSICS 19, 19225 (2017)
  • Dengg Thomas, Razumovskiy Vsevolod, Romaner Lorenz, Kresse Georg, Puschnig Peter, Spitaler Juergen
    Thermal expansion coefficient of WRe alloys from first principles
    PHYSICAL REVIEW B 96, 035148 (2017)
  • Padhye Richa, Aquino Adelia J. A., Tunega Daniel, Pantoya Michelle L.
    Fluorination of an Alumina Surface: Modeling Aluminum-Fluorine Reaction Mechanisms
    ACS APPLIED MATERIALS & INTERFACES 9, 24290 (2017)
  • Nogueira Juan J., Plasser Felix, Gonzalez Leticia
    Electronic delocalization, charge transfer and hypochromism in the UV absorption spectrum of polyadenine unravelled by multiscale computations and quantitative wavefunction analysis
    CHEMICAL SCIENCE 8, 5682 (2017)
  • Ellinghaus Paul, Weinbub Josef, Nedjalkov Mihail, Selberherr Siegfried
    Analysis of lense-governed Wigner signed particle quantum dynamics
    PHYSICA STATUS SOLIDI-RAPID RESEARCH LETTERS 11, 1700102 (2017)
  • Bauernfeind Daniel, Zingl Manuel, Triebl Robert, Aichhorn Markus, Evertz Hans Gerd
    Fork Tensor-Product States: Efficient Multiorbital Real-Time DMFT Solver
    PHYSICAL REVIEW X 7, 031013 (2017)
  • Ambichl Philipp, Brandstoetter Andre, Bohm Julian, Kuehmayer Matthias, Kuhl Ulrich, Rotter Stefan
    Focusing inside Disordered Media with the Generalized Wigner-Smith Operator
    PHYSICAL REVIEW LETTERS 119, 033903 (2017)
  • Knapp I., Budinska B., Milosavljevic D., Heinrich P., Khmelevskyi S., Moser R., Podloucky R., Prenninger P., Bauer E.
    Impurity band effects on transport and thermoelectric properties of Fe2-xNixVAl
    PHYSICAL REVIEW B 96, 045204 (2017)
  • Verwuester Elisabeth, Wruss Elisabeth, Zojer Egbert, Hofmann Oliver T.
    Exploring the driving forces behind the structural assembly of biphenylthiolates on Au(111)
    JOURNAL OF CHEMICAL PHYSICS 147, 024706 (2017)
  • Obersteiner Veronika, Scherbela Michael, Hoermann Lukas, Wegner Daniel, Hofmann Oliver T.
    Structure Prediction for Surface-Induced Phases of Organic Monolayers: Overcoming the Combinatorial Bottleneck
    NANO LETTERS 17, 4453 (2017)
  • Philipp Marie-Therese, Wallerberger Markus, Gunacker Patrik, Held Karsten
    Mott-Hubbard transition in the mass-imbalanced Hubbard model
    EUROPEAN PHYSICAL JOURNAL B 90, 114 (2017)
  • Obersteiner Veronika, Jeindl Andreas, Goetz Johannes, Perveaux Aurelie, Hofmann Oliver T., Zojer Egbert
    Electrostatic Design of 3D Covalent Organic Networks
    ADVANCED MATERIALS 29, 1700888 (2017)
  • Hariki Atsushi, Uozumi Takayuki, Kunes Jan
    LDA plus DMFT approach to core-level spectroscopy: Application to 3d transition metal compounds
    PHYSICAL REVIEW B 96, 045111 (2017)
  • Cardelli Chiara, Bianco Valentino, Rovigatti Lorenzo, Nerattini Francesca, Tubiana Luca, Dellago Christoph, Coluzza Ivan
    The role of directional interactions in the designability of generalized heteropolymers
    SCIENTIFIC REPORTS 7, 4986 (2017)
  • Kaufmann Josef, Gunacker Patrik, Held Karsten
    Continuous-time quantum Monte Carlo calculation of multiorbital vertex asymptotics
    PHYSICAL REVIEW B 96, 035114 (2017)
  • Hollerer Michael, Lueftner Daniel, Hurdax Philipp, Ules Thomas, Soubatch Serguei, Tautz Frank Stefan, Koller Georg, Puschnig Peter, Sterrer Martin, Ramsey Michael G.
    Charge Transfer and Orbital Level Alignment at Inorganic/Organic Interfaces: The Role of Dielectric Interlayers
    ACS NANO 11, 6252 (2017)
  • 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)
  • Ivanov A. N., Hoellwieser R., Troitskaya N. I., Wellenzohn M., Berdnikov Ya. A.
    Precision theoretical analysis of neutron radiative beta decay to order O(alpha(2)/pi(2))
    PHYSICAL REVIEW D 95, 113006 (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)
  • Strauss Alfred, Wan-Wendner Roman, Vidovic Anja, Zambon Ivan, Yu Qiang, Frangopol Dan M., Bergmeister Konrad
    GAMMA PREDICTION MODELS FOR LONG-TERM CREEP DEFORMATIONS OF PRESTRESSED CONCRETE BRIDGES
    JOURNAL OF CIVIL ENGINEERING AND MANAGEMENT 23, 681 (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)
  • Hoellwieser Roman, Greensite Jeff
    Polyakov line actions from SU(3) lattice gauge theory with dynamical fermions via relative weights
    XIITH QUARK CONFINEMENT AND THE HADRON SPECTRUM 137, UNSP 03007 (2017)
  • Kubicki James D., Tunega Daniel, Kraemer Stephan
    A density functional theory investigation of oxalate and Fe(II) adsorption onto the (010) goethite surface with implications for ligand- and reduction-promoted dissolution
    CHEMICAL GEOLOGY 464, 14 (2017)
  • Zhang Zaoli, Gu Xunlong, Holec David, Bartosik Matthias, Mayrhofer Paul H., Duan H. P.
    Superlattice-induced oscillations of interplanar distances and strain effects in the CrN/AlN system
    PHYSICAL REVIEW B 95, 155305 (2017)
  • Plank Lucia, Hellerschmied Andreas, McCallum Jamie, Boehm Johannes, Lovell Jim
    VLBI observations of GNSS-satellites: from scheduling to analysis
    JOURNAL OF GEODESY 91, 867 (2017)

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