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.
 

1139 entries found
with the tags:
  • Alamdary Daryoush Nosraty, Kotakoski Jani, Susi Toma
    Structure and Energetics of Embedded Si Patterns in Graphene
    PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS 254, 1700188 (2017)
  • Zamborlini Giovanni, Lueftner Daniel, Feng Zhijing, Kollmann Bernd, Puschnig Peter, Dri Carlo, Panighel Mirko, Di Santo Giovanni, Goldoni Andrea, Comelli Giovanni, Jugovac Matteo, Feyer Vitaliy, Schneider Claus Michael
    Multi-orbital charge transfer at highly oriented organic/metal interfaces (vol 8, 335, 2017)
    NATURE COMMUNICATIONS 8, 14 (2017)
  • Dumitraschkewitz Phillip, Clemens Helmut, Mayer Svea, Holec David
    Impact of Alloying on Stacking Fault Energies in gamma-TiAl
    APPLIED SCIENCES-BASEL 7, 1193 (2017)
  • Simonka Vito, Hossinger Andreas, Weinbub Josef, Selberherr Siegfried
    ReaxFF Reactive Molecular Dynamics Study of Orientation Dependence of Initial Silicon Carbide Oxidation
    JOURNAL OF PHYSICAL CHEMISTRY A 121, 8791 (2017)
  • Jiang Wei-Chao, Nagele Stefan, Burgdorfer Joachim
    Observing electron-correlation features in two-photon double ionization of helium
    PHYSICAL REVIEW A 96, 053422 (2017)
  • Perthold Jan Walther, Oostenbrink Chris
    Simulation of Reversible Protein-Protein Binding and Calculation of Binding Free Energies Using Perturbed Distance Restraints
    JOURNAL OF CHEMICAL THEORY AND COMPUTATION 13, 5697 (2017)
  • Bianco Valentino, Pages-Gelabert Neus, Coluzza Ivan, Franzese Giancarlo
    How the stability of a folded protein depends on interfacial water properties and residue-residue interactions
    JOURNAL OF MOLECULAR LIQUIDS 245, 129 (2017)
  • Nieman Reed, Aquino Adelia J. A., Hardcastle Trevor P., Kotakoski Jani, Susi Toma, Lischka Hans
    Structure and electronic states of a graphene double vacancy with an embedded Si dopant
    JOURNAL OF CHEMICAL PHYSICS 147, 194702 (2017)
  • Hofmann O. T., Glowatzki H., Buerker C., Rangger G. M., Broeker B., Niederhausen J., Hosokai T., Salzmann I., Blum R. -P., Rieger R., Vollmer A., Rajput P., Gerlach A., Muellen K., Schreiber F., Zojer E., Koch N., Duhm S.
    Orientation-Dependent Work-Function Modification Using Substituted Pyrene-Based Acceptors
    JOURNAL OF PHYSICAL CHEMISTRY C 121, 24657 (2017)
  • Donsa Stefan, Hofstaetter Harald, Koch Othmar, Burgdoerfer Joachim, Brezinova Iva
    Long-time expansion of a Bose-Einstein condensate: Observability of Anderson localization
    PHYSICAL REVIEW A 96, 043630 (2017)
  • Vollath Dieter, Holec David, Fischer Franz Dieter
    Au-55, a stable glassy cluster: results of ab initio calculations
    BEILSTEIN JOURNAL OF NANOTECHNOLOGY 8, 2221 (2017)
  • Baby Anu, Gruenewald Marco, Zwick Christian, Otto Felix, Forker Roman, van Straaten Gerben, Franke Markus, Stadtmueller Benjamin, Kumpf Christian, Brivio Gian Paolo, Fratesi Guido, Fritz Torsten, Zojer Egbert
    Fully Atomistic Understanding of the Electronic and Optical Properties of a Prototypical Doped Charge-Transfer Interface
    ACS NANO 11, 10495 (2017)
  • Hariki Atsushi, Hausoel Andreas, Sangiovanni Giorgio, Kunes Jan
    DFT plus DMFT study on soft moment magnetism and covalent bonding in SrRu2O6
    PHYSICAL REVIEW B 96, 155135 (2017)
  • Khunweeraphong Narakorn, Stockner Thomas, Kuchler Karl
    ' The structure of the human ABC transporter ABCG2 reveals a novel mechanism for drug extrusion
    SCIENTIFIC REPORTS 7, 13767 (2017)
  • Moritz Clemens, Troester Andreas, Dellago Christoph
    Interplay of fast and slow dynamics in rare transition pathways: The disk-to-slab transition in the 2d Ising model
    JOURNAL OF CHEMICAL PHYSICS 147, 152714 (2017)
  • Leitner (Babinsky) K., Felfer P. J., Holec D., Cairney J., Knabl W., Lorich A., Clemens H., Primig S.
    On grain boundary segregation in molybdenum materials
    MATERIALS & DESIGN 135, 204 (2017)
  • Kraberger Gernot J., Triebl Robert, Zingl Manuel, Aichhorn Markus
    Maximum entropy formalism for the analytic continuation of matrix-valued Green's functions
    PHYSICAL REVIEW B 96, 155128 (2017)
  • Whalen J. D., Camargo F., Ding R., Killian T. C., Dunning F. B., Perez-Rios J., Yoshida S., Burgdoerfer J.
    Lifetimes of ultralong-range strontium Rydberg molecules in a dense Bose-Einstein condensate
    PHYSICAL REVIEW A 96, 042702 (2017)
  • Bokdam Menno, Lahnsteiner Jonathan, Ramberger Benjamin, Schaefer Tobias, Kresse Georg
    Assessing Density Functionals Using Many Body Theory for Hybrid Perovskites
    PHYSICAL REVIEW LETTERS 119, 145501 (2017)
  • Pacher Ferdinand, Mayrhofer Paul H., Holec David
    Vacancy-driven extended stability of cubic metastable Ta-Al-N and Nb-Al-N phases
    SURFACE & COATINGS TECHNOLOGY 326, 37 (2017)
  • Rehak Petr, Cerny Miroslav, Holec David
    Interface-induced electronic structure toughening of nitride superlattices
    SURFACE & COATINGS TECHNOLOGY 325, 410 (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)
  • Lueftner Daniel, Weiss Simon, Yang Xiaosheng, Hurdax Philipp, Feyer Vitaliy, Gottwald Alexander, Koller Georg, Soubatch Serguei, Puschnig Peter, Ramsey Michael G., Tautz F. Stefan
    Understanding the photoemission distribution of strongly interacting two-dimensional overlayers
    PHYSICAL REVIEW B 96, 125402 (2017)
  • Titvinidze Irakli, Dorda Antonius, von der Linden Wolfgang, Arrigoni Enrico
    Thermoelectric properties of a strongly correlated layer
    PHYSICAL REVIEW B 96, 115104 (2017)
  • Marcon Marco, Vorel Jan, Nincevic Kresimir, Wan-Wendner Roman
    Modeling Adhesive Anchors in a Discrete Element Framework
    MATERIALS 10, 917 (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)
  • Zamborlini Giovanni, Lueftner Daniel, Feng Zhijing, Kollmann Bernd, Puschnig Peter, Dri Carlo, Panighel Mirko, Di Santo Giovanni, Goldoni Andrea, Comelli Giovanni, Jugovac Matteo, Feyer Vitaliy, Schneidery Claus Michael
    Multi-orbital charge transfer at highly oriented organic/metal interfaces
    NATURE COMMUNICATIONS 8, 335 (2017)
  • Erker Simon, Rinke Patrick, Moll Nikolaj, Hofmann Oliver T.
    Doping dependence of the surface phase stability of polar O-terminated (000(1)over-bar) ZnO
    NEW JOURNAL OF PHYSICS 19, 083012 (2017)
  • Scardamaglia Mattia, Susi Toma, Struzzi Claudia, Snyders Rony, Di Santo Giovanni, Petaccia Luca, Bittencourt Carla
    Spectroscopic observation of oxygen dissociation on nitrogen-doped graphene
    SCIENTIFIC REPORTS 7, 7960 (2017)

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