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.

108 entries found
with the tags: 2017 x
  • Muller Danny, Knoll Christian, Seifried Marco, Welch Jan M, Giester Gerald, Reissner Michael, Weinberger Peter
    Halogenated Alkyltetrazoles for the Rational Design of Fe
    Chemistry (Weinheim an der Bergstrasse, Germany) None, (2017)
  • Obersteiner Veronika, Huhs Georg, Papior Nick R, Zojer Egbert
    Unconventional Current Scaling and Edge Effects for Charge Transport through Molecular Clusters.
    Nano letters None, (2017)
  • 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)
  • Shabbir H., Hartmann M. A.
    Influence of reversible cross-link coordination on the mechanical behavior of a linear polymer chain
    NEW JOURNAL OF PHYSICS 19, 093024 (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)
  • 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
  • Perthold Jan Walther, Oostenbrink Chris
    Simulation of Reversible Protein-Protein Binding and Calculation of Binding Free Energies Using Perturbed Distance Restraints
  • 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
  • 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
  • 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)
  • 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)
  • 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)
  • Rehak Petr, Cerny Miroslav, Holec David
    Interface-induced electronic structure toughening of nitride superlattices
  • 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)
  • 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
  • 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)
  • Bedoya-Martinez Natalia, Schrode Benedikt, Jones Andrew O. F., Salzillo Tommaso, Ruzie Christian, Demitri Nicola, Geerts Yves H., Venuti Elisabetta, Della Valle Raffaele Guido, Zojer Egbert, Resel Roland
    DFT-Assisted Polymorph Identification from Lattice Raman Fingerprinting

Search results 1 until 30 of 108