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:
  • 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)
  • 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)
  • Libisch F., Rotter S., Burgdoerfer J.
    Coherent transport through graphene nanoribbons in the presence of edge disorder
    NEW JOURNAL OF PHYSICS 14, 123006 (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)
  • Dietz O., Stoeckmann H. -J., Kuhl U., Izrailev F. M., Makarov N. M., Doppler J., Libisch F., Rotter S.
    Surface scattering and band gaps in rough waveguides and nanowires
    PHYSICAL REVIEW B 86, 201106 (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)
  • Parragh Nicolaus, Toschi Alessandro, Held Karsten, Sangiovanni Giorgio
    Conserved quantities of SU(2)-invariant interactions for correlated fermions and the advantages for quantum Monte Carlo simulations
    PHYSICAL REVIEW B 86, 155158 (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)
  • Yoshida S., Reinhold C. O., Burgdoerfer J., Ye S., Dunning F. B.
    Photoexcitation of n similar or equal to 305 Rydberg states in the presence of an rf drive field
    PHYSICAL REVIEW A 86, 043415 (2012)
  • Koch Hans Peter, Laskowski Robert, Blaha Peter, Schwarz Karlheinz
    Adsorption of small gold clusters on the h-BN/Rh(111) nanomesh
    PHYSICAL REVIEW B 86, 155404 (2012)
  • Tunega Daniel, Bucko Tomas, Zaoui Ali
    Assessment of ten DFT methods in predicting structures of sheet silicates: Importance of dispersion corrections
    JOURNAL OF CHEMICAL PHYSICS 137, 114105 (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)
  • Matusik Jakub, Scholtzova Eva, Tunega Daniel
    INFLUENCE OF SYNTHESIS CONDITIONS ON THE FORMATION OF A KAOLINITE-METHANOL COMPLEX AND SIMULATION OF ITS VIBRATIONAL SPECTRA
    CLAYS AND CLAY MINERALS 60, 227 (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)
  • Valli A., Sangiovanni G., Toschi A., Held K.
    Correlation effects in transport properties of interacting nanostructures
    PHYSICAL REVIEW B 86, 115418 (2012)
  • Kunes J., Krapek V., Parragh N., Sangiovanni G., Toschi A., Kozhevnikov A. V.
    Spin State of Negative Charge-Transfer Material SrCoO3
    PHYSICAL REVIEW LETTERS 109, 117206 (2012)

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