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.
 



59 entries found
  • 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)
  • 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)
  • DeSouza Alexander L., Vorobyov Eduard I., Basu Shantanu
    The Burst Mode of Accretion in Primordial Star Formation
    FIRST STARS IV - FROM HAYASHI TO THE FUTURE 1480, 346 (2012)
  • Plasser Felix, Granucci Giovanni, Pittner Jiri, Barbatti Mario, Persico Maurizio, Lischka Hans
    Surface hopping dynamics using a locally diabatic formalism: Charge transfer in the ethylene dimer cation and excited state dynamics in the 2-pyridone dimer
    JOURNAL OF CHEMICAL PHYSICS 137, 22A514 (2012)
  • Troeppner C., Schmitt T., Reuschl M., Hammer L., Schneider M. A., Mittendorfer F., Redinger J., Podloucky R., Weinert M.
    Incommensurate Moire overlayer with strong local binding: CoO(111) bilayer on Ir(100)
    PHYSICAL REVIEW B 86, 235407 (2012)
  • Capone Barbara, Coluzza Ivan, LoVerso Federica, Likos Christos N., Blaak Ronald
    Telechelic Star Polymers as Self-Assembling Units from the Molecular to the Macroscopic Scale
    PHYSICAL REVIEW LETTERS 109, 238301 (2012)
  • Lenz Dominic A., Blaak Ronald, Likos Christos N., Mladek Bianca M.
    Microscopically Resolved Simulations Prove the Existence of Soft Cluster Crystals
    PHYSICAL REVIEW LETTERS 109, 228301 (2012)
  • Matthews Richard, Louis Ard A., Likos Christos N.
    Effect of Bending Rigidity on the Knotting of a Polymer under Tension
    ACS MACRO LETTERS 1, 1352 (2012)
  • Boonyarattanakalin Kanokthip, Wolschann Peter, Toochinda Pisanu, Lawtrakul Luckhana
    Molecular dynamics simulations of UC781-cyclodextrins inclusion complexes in aqueous solution
    EUROPEAN JOURNAL OF PHARMACEUTICAL SCIENCES 47, 752 (2012)
  • Plasser Felix, Aquino Adelia J. A., Hase William L., Lischka Hans
    UV Absorption Spectrum of Alternating DNA Duplexes. Analysis of Excitonic and Charge Transfer Interactions
    JOURNAL OF PHYSICAL CHEMISTRY A 116, 11151 (2012)
  • Kerscher Tobias C., Landgraf Wolfgang, Podloucky Raimund, Mueller Stefan
    Adsorbate-induced segregation: First-principles study for C/Pt25Rh75(100)
    PHYSICAL REVIEW B 86, 195420 (2012)
  • Jantimapornkij Patcharawee, Jundee Piebprom, Uttamapinant Nattakarn, Pianwanit Somsak, Karpfen Alfred
    A-H center dot center dot center dot pi hydrogen bonding to acetylene and benzene: The role of intramolecular coupling
    COMPUTATIONAL AND THEORETICAL CHEMISTRY 999, 231 (2012)
  • Ploeckinger S., Hensler G.
    Do high-velocity clouds trace the dark matter subhalo population?
    ASTRONOMY & ASTROPHYSICS 547, A43 (2012)
  • Richter Martin, Marquetand Philipp, Gonzalez-Vazquez Jesus, Sola Ignacio, Gonzalez Leticia
    Femtosecond Intersystem Crossing in the DNA Nucleobase Cytosine
    JOURNAL OF PHYSICAL CHEMISTRY LETTERS 3, 3090 (2012)
  • Hlevnjak Mario, Polyansky Anton A., Zagrovic Bojan
    Sequence signatures of direct complementarity between mRNAs and cognate proteins on multiple levels
    NUCLEIC ACIDS RESEARCH 40, 8874 (2012)
  • West Aaron C., Lynch Joseph D., Sellner Bernhard, Lischka Hans, Hase William L., Windus Theresa L.
    O+C2H4 potential energy surface: lowest-lying singlet at the multireference level
    THEORETICAL CHEMISTRY ACCOUNTS 131, 1279 (2012)
  • Hensler Gerhard, Petrov Mykola
    Early Evolution of the Milky Way Satellite System
    GALACTIC ARCHAEOLOGY: NEAR-FIELD COSMOLOGY AND THE FORMATION OF THE MILKY WAY 458, 367 (2012)
  • Riest Jonas, Mohanty Priti, Schurtenberger Peter, Likos Christos N.
    Coarse-Graining of Ionic Microgels: Theory and Experiment
    ZEITSCHRIFT FUR PHYSIKALISCHE CHEMIE-INTERNATIONAL JOURNAL OF RESEARCH IN PHYSICAL CHEMISTRY & CHEMICAL PHYSICS 226, 711 (2012)
  • Antol Ivana, Eckert-Maksic Mirjana, Vazdar Mario, Ruckenbauer Matthias, Lischka Hans
    QM/MM non-adiabatic decay dynamics of formamide in polar and non-polar solvents
    PHYSICAL CHEMISTRY CHEMICAL PHYSICS 14, 13262 (2012)
  • Vorobyov E. I., Mitchell N. L., Hensler G.
    Numerical Stellar Hydrodynamics and its Application to the Evolution of Galaxies
    ADVANCES IN COMPUTATIONAL ASTROPHYSICS: METHODS, TOOLS AND OUTCOMES 453, 409 (2012)
  • Mitchell N. L., Bower R. G., Theuns T., Vorobyov E. I.
    Towards Understanding Simulated Feedback in AMR and SPH Codes and the Multi-Phase Nature of the ISM
    ADVANCES IN COMPUTATIONAL ASTROPHYSICS: METHODS, TOOLS AND OUTCOMES 453, 19 (2012)
  • Reith D., Blaas-Schenner C., Podloucky R.
    Density functional theory study of phase stability, vibrational, and electronic properties of Mo3Al2C
    PHYSICAL REVIEW B 86, 104105 (2012)
  • Breth L., Suess D., Vogler C., Bergmair B., Fuger M., Heer R., Brueckl H.
    Thermal switching field distribution of a single domain particle for field-dependent attempt frequency
    JOURNAL OF APPLIED PHYSICS 112, 023903 (2012)
  • Schoellhammer Gunther, Herzig Peter
    Elastic constants of La, LaH2, and LaH3
    MONATSHEFTE FUR CHEMIE 143, 1325 (2012)
  • Zeleny Tomas, Ruckenbauer Matthias, Aquino Adelia J. A., Mueller Thomas, Lankas Filip, Drsata Tomas, Hase William L., Nachtigallova Dana, Lischka Hans
    Strikingly Different Effects of Hydrogen Bonding on the Photodynamics of Individual Nucleobases in DNA: Comparison of Guanine and Cytosine
    JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 134, 13662 (2012)
  • Plasser Felix, Lischka Hans
    Analysis of Excitonic and Charge Transfer Interactions from Quantum Chemical Calculations
    JOURNAL OF CHEMICAL THEORY AND COMPUTATION 8, 2777 (2012)
  • Pirvu B., Vidal G., Verstraete F., Tagliacozzo L.
    Matrix product states for critical spin chains: Finite-size versus finite-entanglement scaling
    PHYSICAL REVIEW B 86, 075117 (2012)
  • Bergmair Bernhard, Huber Thomas, Bruckner Florian, Vogler Christoph, Suess Dieter
    Removal of earth's magnetic field effect on magnetoelastic resonance sensors by an antisymmetric bias field
    SENSORS AND ACTUATORS A-PHYSICAL 183, 11 (2012)
  • Bergmair Bernhard, Liu Jian, Huber Thomas, Gutfleisch Oliver, Suess Dieter
    Wireless and passive temperature indicator utilizing the large hysteresis of magnetic shape memory alloys
    APPLIED PHYSICS LETTERS 101, 042412 (2012)
  • Hao X. F., Stroppa A., Picozzi S., Filippetti A., Franchini C.
    Exceptionally large room-temperature ferroelectric polarization in the PbNiO3 multiferroic nickelate: First-principles study
    PHYSICAL REVIEW B 86, 014116 (2012)

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