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.
 



765 entries found
with the tags:
  • Zhou Liangcai, Holec David, Mayrhofer Paul H.
    First-principles study of elastic properties of cubic Cr1-xAlxN alloys (vol 113, 043511, 2013)
    JOURNAL OF APPLIED PHYSICS 113, 079901 (2013)
  • Plasser Felix, Pasalic Hasan, Gerzabek Martin H., Libisch Florian, Reiter Rafael, Burgdoerfer Joachim, Mueller Thomas, Shepard Ron, Lischka Hans
    The Multiradical Character of One- and Two-Dimensional Graphene Nanoribbons
    ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 52, 2581 (2013)
  • Egger David A., Ruiz Victor G., Said Wissam A., Bucko Tomas, Tkatchenko Alexandre, Zojer Egbert
    Understanding Structure and Bonding of Multilayered Metal-Organic Nanostructures
    JOURNAL OF PHYSICAL CHEMISTRY C 117, 3055 (2013)
  • Ke Song, Zangerl Eva-Maria, Stary-Weinzinger Anna
    Distinct interactions of Na+ and Ca2+ ions with the selectivity filter of the bacterial sodium channel Na(v)Ab
    BIOCHEMICAL AND BIOPHYSICAL RESEARCH COMMUNICATIONS 430, 1272 (2013)
  • Botana Antia S., Pardo Victor, Baldomir Daniel, Blaha Peter
    Conducting states caused by a surface electric dipole in CrN(001) very thin films
    PHYSICAL REVIEW B 87, 075114 (2013)
  • Assmann Elias, Blaha Peter, Laskowski Robert, Held Karsten, Okamoto Satoshi, Sangiovanni Giorgio
    Oxide Heterostructures for Efficient Solar Cells
    PHYSICAL REVIEW LETTERS 110, 078701 (2013)
  • Coluzza Ivan, van Oostrum Peter D. J., Capone Barbara, Reimhult Erik, Dellago Christoph
    Sequence Controlled Self-Knotting Colloidal Patchy Polymers
    PHYSICAL REVIEW LETTERS 110, 075501 (2013)
  • Happenhofer Natalie, Grimm-Strele Hannes, Kupka Friedrich, Loew-Baselli Bernhard, Muthsam Herbert
    A low Mach number solver: Enhancing applicability
    JOURNAL OF COMPUTATIONAL PHYSICS 236, 96 (2013)
  • Thomas Martin, Latorre Federico, Marquetand Philipp
    Resonance Raman spectra of ortho-nitrophenol calculated by real-time time-dependent density functional theory
    JOURNAL OF CHEMICAL PHYSICS 138, 044101 (2013)
  • Zhou Liangcai, Holec David, Mayrhofer Paul H.
    First-principles study of elastic properties of cubic Cr1-xAlxN alloys
    JOURNAL OF APPLIED PHYSICS 113, 043511 (2013)
  • Nikoubashman Arash, Likos Christos N., Kahl Gerhard
    Computer simulations of colloidal particles under flow in microfluidic channels
    SOFT MATTER 9, 2603 (2013)
  • Uzunova Ellie L., Mikosch Hans, St Nikolov Georgi
    Density functional study of copper-exchanged zeolites and related microporous materials: Adsorption of nitrosyls
    INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 113, 723 (2013)
  • Jungblut Swetlana, Dellago Christoph
    Crystallization on prestructured seeds
    PHYSICAL REVIEW E 87, 012305 (2013)
  • Xu Yuanhui, Hao Xianfeng, Franchini Cesare, Gao Faming
    Structural, Electronic, and Ferroelectric Properties of Compressed CdPbO3 Polymorphs
    INORGANIC CHEMISTRY 52, 1032 (2013)
  • Falmbig M., Kneidinger F., Chen M., Grytsiv A., Michor H., Royanian E., Bauer E., Effenberger H., Podloucky R., Rogl P.
    Cage-Forming Compounds in the Ba-Rh-Ge System: From Thermoelectrics to Superconductivity
    INORGANIC CHEMISTRY 52, 931 (2013)
  • Pacile Daniela, Leicht Philipp, Papagno Marco, Sheverdyaeva Polina M., Moras Paolo, Carbone Carlo, Krausert Konstantin, Zielke Lukas, Fonin Mikhail, Dedkov Yuriy S., Mittendorfer Florian, Doppler Joerg, Garhofer Andreas, Redinger Josef
    Artificially lattice-mismatched graphene/metal interface: Graphene/Ni/Ir(111)
    PHYSICAL REVIEW B 87, 035420 (2013)
  • Punkvang Auradee, Pungpo Pornpan, Kamsri Pharit, Kasamsri Dararat, Srisupan Apinya, Saparpakorn Patchreenart, Hannongbua Supa, Wolschann Peter, Prueksaaroon Supakit, Pongprom Nipawan
    Molecular Dynamics simulations of azanaphthoquinone annelated pyrrole derivatives as anticancer agent in DNA duplex
    INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 113, 555 (2013)
  • Voloshina E. N., Fertitta E., Garhofer A., Mittendorfer F., Fonin M., Thissen A., Dedkov Yu. S.
    Electronic structure and imaging contrast of graphene moire on metals
    SCIENTIFIC REPORTS 3, 1072 (2013)
  • Attems Maximilian, Rebhan Anton, Strickland Michael
    Instabilities of an anisotropically expanding non-Abelian plasma: 3D+3V discretized hard-loop simulations
    PHYSICAL REVIEW D 87, 025010 (2013)
  • Bernabei Marco, Bacova Petra, Moreno Angel J., Narros Arturo, Likos Christos N.
    Fluids of semiflexible ring polymers: effective potentials and clustering
    SOFT MATTER 9, 1287 (2013)
  • Coluzza Ivan, van Oostrum Peter D. J., Capone Barbara, Reimhult Erik, Dellago Christoph
    Design and folding of colloidal patchy polymers
    SOFT MATTER 9, 938 (2013)
  • Abert Claas, Exl Lukas, Selke Gunnar, Drews Andre, Schrefl Thomas
    Numerical methods for the stray-field calculation: A comparison of recently developed algorithms
    JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS 326, 176 (2013)
  • Schoellhammer Gunther, Karsai Ferenc, Herzig Peter
    Fluorite-Type Rare-Earth Hydrides Studied from First Principles In ``Properties of Fluorite Structure Materials'', Editors:
    Nova Science Publishers (N.Y., USA)
  • Zhicheng Zhong, Wissgott Philipp, Held Karsten, Sangiovanni Giorgio
    Microscopic understanding of the orbital splitting and its tuning at oxide interfaces
    Europhysics Letters 99, (2012)
  • Xinhua Xie, Roither Stefan, Kartashov Daniil, Persson Emil, Arbo Diego G., Li Zhang, Grafe Stefanie, Schoffler Markus S., Burgdorfer Joachim, Baltuska Andrius, Kitzler Markus
    Attosecond Probe of Valence-Electron Wave Packets by Subcycle Sculpted Laser Fields
    Physical Review Letters 108, (2012)
  • Kubicki James D., Tunega Daniel, Kraemer Stephan
    Oxalate adsorption onto the (010) surface of goethite
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 244, (2012)
  • Linder Tobias, Stary-Weinzinger Anna
    Pore Gating of K plus Channels Studied by Essential Dynamics Simulations using the Simplified Bacterial K plus Channel KcsA
    BIOPHYSICAL JOURNAL 102, 397A (2012)
  • Igenbergs Katharina, Wallerberger Markus, Schweinzer Josef, Aumayr Friedrich
    Atomic-orbital close-coupling calculations of charge exchange and ionisation in collisions of H(1s) and highly charged neon and argon ions
    XXVII INTERNATIONAL CONFERENCE ON PHOTONIC, ELECTRONIC AND ATOMIC COLLISIONS (ICPEAC 2011), PTS 1-15 388, 082056 (2012)
  • Wallerberger Markus, Igenbergs Katharina, Schweinzer Josef, Aumayr Friedrich
    Fast computation of large-scale close-coupling systems on the example of N7+ - H collisions
    XXVII INTERNATIONAL CONFERENCE ON PHOTONIC, ELECTRONIC AND ATOMIC COLLISIONS (ICPEAC 2011), PTS 1-15 388, 082055 (2012)
  • Neubauer David, Vrtala Aron, Leitner Johannes J., Firneis Maria Gertrude, Hitzenberger Regina
    The life supporting zone of Kepler-22b and the Kepler planetary candidates: KOI268.01, KOI701.03, KOI854.01 and KOI1026.01
    PLANETARY AND SPACE SCIENCE 73, 397 (2012)

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