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.
 



859 entries found
with the tags:
  • Coluzza Ivan, Dellago Christoph
    The configurational space of colloidal patchy polymers with heterogeneous sequences
    JOURNAL OF PHYSICS-CONDENSED MATTER 24, 284111 (2012)
  • Sukrat Kanjarat, Tunega Daniel, Aquino Adelia J. A., Lischka Hans, Parasuk Vudhichai
    Proton exchange reactions of C2-C4 alkanes sorbed in ZSM-5 zeolite
    THEORETICAL CHEMISTRY ACCOUNTS 131, UNSP 1232 (2012)
  • Coluzza Ivan, MacDonald James T., Sadowski Michael I., Taylor William R., Goldstein Richard A.
    Analytic Markovian Rates for Generalized Protein Structure Evolution
    PLOS ONE 7, e34228 (2012)
  • Botana A. S., Tran F., Pardo V., Baldomir D., Blaha P.
    Electronic structure of CrN: A comparison between different exchange correlation potentials
    PHYSICAL REVIEW B 85, 235118 (2012)
  • Kungwan Nawee, Plasser Felix, Aquino Adelia J. A., Barbatti Mario, Wolschann Peter, Lischka Hans
    The effect of hydrogen bonding on the excited-state proton transfer in 2-(2 '-hydroxyphenyl) benzothiazole: a TDDFT molecular dynamics study
    PHYSICAL CHEMISTRY CHEMICAL PHYSICS 14, 9016 (2012)
  • Igenbergs Katharina, Wallerberger Markus, Schweinzer Josef, Aumayr Friedrich
    Atomic-Orbital Close-Coupling Calculations for Collisions Involving Fusion Relevant Highly Charged Impurity Ions Using Very Large Basis Sets
    17TH INTERNATIONAL CONFERENCE ON ATOMIC PROCESSES IN PLASMAS (ICAPIP) 1438, 232 (2012)
  • Wissgott P., Kunes J., Toschi A., Held K.
    Dipole matrix element approach versus Peierls approximation for optical conductivity
    PHYSICAL REVIEW B 85, 205133 (2012)
  • Fiedler G., Fidler J., Lee J., Schrefl T., Stamps R. L., Braun H. B., Suess D.
    Direct calculation of the attempt frequency of magnetic structures using the finite element method
    JOURNAL OF APPLIED PHYSICS 111, 093917 (2012)
  • Yoshida S., Reinhold C. O., Burgdoerfer J., Wyker B., Ye S., Dunning F. B.
    Analysis of circular wave packets generated by pulsed electric fields
    NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS 279, 4 (2012)
  • Liertzer M., Ge Li, Cerjan A., Stone A. D., Tuereci H. E., Rotter S.
    Pump-Induced Exceptional Points in Lasers
    PHYSICAL REVIEW LETTERS 108, 173901 (2012)
  • Jacobson Peter, Stoeger Bernhard, Garhofer Andreas, Parkinson Gareth S., Schmid Michael, Caudillo Roman, Mittendorfer Florian, Redinger Josef, Diebold Ulrike
    Nickel Carbide as a Source of Grain Rotation in Epitaxial Graphene
    ACS NANO 6, 3564 (2012)
  • Yan X., Chen M. X., Laumann S., Bauer E., Rogl P., Podloucky R., Paschen S.
    Thermoelectric properties of Ba-Cu-Si clathrates
    PHYSICAL REVIEW B 85, 165127 (2012)
  • Zeiringer I., Chen MingXing, Grytsiv A., Bauer E., Podloucky R., Effenberger H., Rogl P.
    The ternary system Au-Ba-Si: Clathrate solution, electronic structure, physical properties, phase equilibria and crystal structures
    ACTA MATERIALIA 60, 2324 (2012)
  • Kupka Friedrich, Happenhofer Natalie, Higueras Inmaculada, Koch Othmar
    Total-variation-diminishing implicit-explicit Runge-Kutta methods for the simulation of double-diffusive convection in astrophysics
    JOURNAL OF COMPUTATIONAL PHYSICS 231, 3561 (2012)
  • Zonta Francesco, Marchioli Cristian, Soldati Alfredo
    Modulation of turbulence in forced convection by temperature-dependent viscosity
    JOURNAL OF FLUID MECHANICS 697, 150 (2012)
  • Hansmann P., Haverkort M. W., Toschi A., Sangiovanni G., Rodolakis F., Rueff J. P., Marsi M., Held K.
    Atomic and itinerant effects at the transition-metal x-ray absorption K pre-edge exemplified in the case of V2O3
    PHYSICAL REVIEW B 85, 115136 (2012)
  • Haegeman Jutho, Pirvu Bogdan, Weir David J., Cirac Ignacio, Osborne Tobias J., Verschelde Henri, Verstraete Frank
    Variational matrix product ansatz for dispersion relations
    PHYSICAL REVIEW B 85, 100408 (2012)
  • Das Hena, Sangiovanni G., Valli A., Held K., Saha-Dasgupta T.
    Comment on "Size Control of Charge-Orbital Order in Half-Doped Manganite La0.5Ca0.5MnO3" Reply
    PHYSICAL REVIEW LETTERS 108, 129702 (2012)
  • Camargo Manuel, Egorov Sergei A., Likos Christos N.
    Cluster formation in star-linear polymer mixtures: equilibrium and dynamical properties
    SOFT MATTER 8, 4177 (2012)
  • Nikoubashman Arash, Kahl Gerhard, Likos Christos N.
    Flow quantization and nonequilibrium nucleation of soft crystals
    SOFT MATTER 8, 4121 (2012)
  • Tunega Daniel
    Theoretical Study of Properties of Goethite (alpha-FeOOH) at Ambient and High-Pressure Conditions
    JOURNAL OF PHYSICAL CHEMISTRY C 116, 6703 (2012)
  • Punzet Manuel, Baurecht Dieter, Varga Franz, Karlic Heidrun, Heitzinger Clemens
    Determination of surface concentrations of individual molecule-layers used in nanoscale biosensors by in situ ATR-FTIR spectroscopy
    NANOSCALE 4, 2431 (2012)
  • Huissmann Sebastian, Likos Christos N., Blaak Ronald
    Explicit vs Implicit Water Simulations of Charged Dendrimers
    MACROMOLECULES 45, 2562 (2012)
  • Igenbergs K., Schweinzer J., Veiter A., Perneczky L., Fruehwirth E., Wallerberger M., Olson R. E., Aumayr F.
    Charge exchange and ionization in N7+-, N6+-, C6+-H(n=1, 2) collisions studied systematically by theoretical approaches
    JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS 45, 065203 (2012)
  • Exl L., Auzinger W., Bance S., Gusenbauer M., Reichel F., Schrefl T.
    Fast stray field computation on tensor grids
    JOURNAL OF COMPUTATIONAL PHYSICS 231, 2840 (2012)
  • Pasalic Hasan, Tunega Daniel, Aquino Adelia J. A., Haberhauer Georg, Gerzabek Martin H., Lischka Hans
    The stability of the acetic acid dimer in microhydrated environments and in aqueous solution
    PHYSICAL CHEMISTRY CHEMICAL PHYSICS 14, 4162 (2012)
  • Wilms Johannes, Vidal Julien, Verstraete Frank, Dusuel Sebastien
    Finite-temperature mutual information in a simple phase transition
    JOURNAL OF STATISTICAL MECHANICS-THEORY AND EXPERIMENT None, P01023 (2012)
  • Bruckner Florian, Vogler Christoph, Feischl Michael, Praetorius Dirk, Bergmair Bernhard, Huber Thomas, Fuger Markus, Suess Dieter
    3D FEM-BEM-coupling method to solve magnetostatic Maxwell equations
    JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS 324, 1862 (2012)
  • Taranto C., Sangiovanni G., Held K., Capone M., Georges A., Toschi A.
    Signature of antiferromagnetic long-range order in the optical spectrum of strongly correlated electron systems
    PHYSICAL REVIEW B 85, 085124 (2012)
  • Plasser Felix, Barbatti Mario, Aquino Adelia J. A., Lischka Hans
    Electronically excited states and photodynamics: a continuing challenge
    THEORETICAL CHEMISTRY ACCOUNTS 131, 1073 (2012)

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