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.
 

936 entries found
with the tags:
  • Muthsam Herbert J., Kupka Friedrich, Mundprecht Eva, Zaussinger Florian, Grimm-Strele Hannes, Happenhofer Natalie
    Simulations of stellar convection, pulsation and semiconvection
    ASTROPHYSICAL DYNAMICS: FROM STARS TO GALAXIES 271, 179 (2011)
  • Igenbergs Katharina, Wallerberger Markus, Schweinzer Josef, Aumayr Friedrich
    Atomic-Orbital Close-Coupling Calculations Of Electron Capture From Hydrogen Atoms Into Highly Excited Rydberg States Of Multiply Charged Ions
    APPLICATION OF ACCELERATORS IN RESEARCH AND INDUSTRY: TWENTY-FIRST INTERNATIONAL CONFERENCE 1336, 97 (2011)
  • Neubauer David, Vrtala Aron, Leitner Johannes J., Firneis Maria G., Hitzenberger Regina
    Development of a Model to Compute the Extension of Life Supporting Zones for Earth-Like Exoplanets
    ORIGINS OF LIFE AND EVOLUTION OF BIOSPHERES 41, 545 (2011)
  • Koch Christian, Likos Christos N., Panagiotopoulos Athanassios Z., Lo Verso Federica
    Self-assembly scenarios of block copolymer stars
    MOLECULAR PHYSICS 109, 3049 (2011)
  • Solc Roland, Gerzabek Martin H., Lischka Hans, Tunega Daniel
    Wettability of kaolinite (001) surfaces - Molecular dynamic study
    GEODERMA 169, 47 (2011)
  • Meleshyn A., Tunega D.
    Adsorption of phenanthrene on Na-montmorillonite: A model study
    GEODERMA 169, 41 (2011)
  • Aquino Adelia J. A., Tunega Daniel, Pasalic Hasan, Schaumann Gabriele E., Haberhauer Georg, Gerzabek Martin H., Lischka Hans
    Study of solvent effect on the stability of water bridge-linked carboxyl groups in humic acid models
    GEODERMA 169, 20 (2011)
  • Tunega Daniel, Gerzabek Martin H., Totsche Kai U.
    Advances of molecular modeling of biogeochemical interfaces in soils
    GEODERMA 169, 1 (2011)
  • Suess D., Breth L., Lee J., Fuger M., Vogler C., Bruckner F., Bergmair B., Huber T., Fidler J.
    Calculation of coercivity of magnetic nanostructures at finite temperatures
    PHYSICAL REVIEW B 84, 224421 (2011)
  • Knape Kirsten, Linder Tobias, Wolschann Peter, Beyer Anton, Stary-Weinzinger Anna
    In silico Analysis of Conformational Changes Induced by Mutation of Aromatic Binding Residues: Consequences for Drug Binding in the hERG K+ Channel
    PLOS ONE 6, e28778 (2011)
  • Rohringer G., Toschi A., Katanin A., Held K.
    Critical Properties of the Half-Filled Hubbard Model in Three Dimensions
    PHYSICAL REVIEW LETTERS 107, 256402 (2011)
  • Jungblut S., Dellago C.
    Heterogeneous crystallization on tiny clusters
    EPL 96, 56006 (2011)
  • Koch Hans Peter, Laskowski Robert, Blaha Peter, Schwarz Karlheinz
    Adsorption of gold atoms on the h-BN/Rh(111) nanomesh
    PHYSICAL REVIEW B 84, 245410 (2011)
  • Carrington M. E., Rebhan A.
    Perturbative and non-perturbative Kolmogorov turbulence in a gluon plasma
    EUROPEAN PHYSICAL JOURNAL C 71, 1787 (2011)
  • Daeungern Rathawat, Kungwan Nawee, Wolschann Peter, Aquino Adelia J. A., Lischka Hans, Barbatti Mario
    Excited-State Intermolecular Proton Transfer Reactions of 7-Azaindole(MeOH)(n) (n=1-3) Clusters in the Gas phase: On-the-Fly Dynamics Simulation
    JOURNAL OF PHYSICAL CHEMISTRY A 115, 14129 (2011)
  • Libisch F., Rotter S., Burgdoerfer J.
    Disorder scattering in graphene nanoribbons
    PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS 248, 2598 (2011)
  • Lumpi Daniel, Stoeger Berthold, Hametner Christian, Kubel Frank, Reider Georg, Hagemann Hans, Karpfen Alfred, Froehlich Johannes
    Modified ene-yne compounds: a novel functional material with nonlinear optical properties
    CRYSTENGCOMM 13, 7194 (2011)
  • Mittendorfer F., Garhofer A., Redinger J., Klimes J., Harl J., Kresse G.
    Graphene on Ni(111): Strong interaction and weak adsorption
    PHYSICAL REVIEW B 84, 201401 (2011)
  • Seibold Marcus, Wolschann Peter, Olsen Ole
    Joint occurrence of the bubble protein and mycophenolic acid in Penicillium brevicompactum Dierckx
    MONATSHEFTE FUR CHEMIE 142, 1309 (2011)
  • Kabliman Evgeniya, Blaha Peter, Schwarz Karlheinz, Peil Oleg E., Ruban Andrei V., Johansson Boerje
    Configurational thermodynamics of the Fe-Cr sigma phase
    PHYSICAL REVIEW B 84, 184206 (2011)
  • Seibold Marcus, Wolschann Peter, Bodevin Sabrina, Olsen Ole
    Properties of the bubble protein, a defensin and an abundant component of a fungal exudate
    PEPTIDES 32, 1989 (2011)
  • Das Hena, Sangiovanni G., Valli A., Held K., Saha-Dasgupta T.
    Size Control of Charge-Orbital Order in Half-Doped Manganite La0.5Ca0.5MnO3
    PHYSICAL REVIEW LETTERS 107, 197202 (2011)
  • Wilms Johannes, Troyer Matthias, Verstraete Frank
    Mutual information in classical spin models
    JOURNAL OF STATISTICAL MECHANICS-THEORY AND EXPERIMENT None, P10011 (2011)
  • Mittendorfer Florian, Franz Thomas, Klikovits Jan, Schmid Michael, Merte Lindsay R., Zaman Sameena Shah, Varga Peter, Westerstrom Rasmus, Resta Andrea, Andersen Jesper N., Gustafson Johan, Lundgren Edvin
    Oxygen-Stabilized Rh Adatoms: 0D Oxides on a Vicinal Surface
    JOURNAL OF PHYSICAL CHEMISTRY LETTERS 2, 2747 (2011)
  • Faraji S., Vazdar M., Reddy V. Sivaranjana, Eckert-Maksic M., Lischka H., Koeppel H.
    Ab initio quantum dynamical study of the multi-state nonadiabatic photodissociation of pyrrole
    JOURNAL OF CHEMICAL PHYSICS 135, 154310 (2011)
  • Lischka Hans, Mueller Thomas, Szalay Peter G., Shavitt Isaiah, Pitzer Russell M., Shepard Ron
    COLUMBUS-a program system for advanced multireference theory calculations
    WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE 1, 191 (2011)
  • Tunega D., Pasalic H., Gerzabek M. H., Lischka H.
    Theoretical study of structural, mechanical and spectroscopic properties of boehmite (gamma-AlOOH)
    JOURNAL OF PHYSICS-CONDENSED MATTER 23, 404201 (2011)
  • Wyker B., Ye S., Dunning F. B., Yoshida S., Reinhold C. O., Burgdoerfer J.
    Probing the spatial distribution of high-angular-momentum Rydberg wave packets
    PHYSICAL REVIEW A 84, 043412 (2011)
  • Cwiklik Lukasz, Aquino Adelia J. A., Vazdar Mario, Jurkiewicz Piotr, Pittner Jiri, Hof Martin, Lischka Hans
    Absorption and Fluorescence of PRODAN in Phospholipid Bilayers: A Combined Quantum Mechanics and Classical Molecular Dynamics Study
    JOURNAL OF PHYSICAL CHEMISTRY A 115, 11428 (2011)
  • Pederzoli Marek, Pittner Jiri, Barbatti Mario, Lischka Hans
    Nonadiabatic Molecular Dynamics Study of the cis-trans Photoisomerization of Azobenzene Excited to the S-1 State
    JOURNAL OF PHYSICAL CHEMISTRY A 115, 11136 (2011)

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