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:
  • 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)
  • 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)
  • Rohringer G., Valli A., Toschi A.
    Local electronic correlation at the two-particle level
    PHYSICAL REVIEW B 86, 125114 (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)
  • Zhong Zhicheng, Wissgott Philipp, Held Karsten, Sangiovanni Giorgio
    Microscopic understanding of the orbital splitting and its tuning at oxide interfaces
    EPL 99, 37011 (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)
  • Nomura Yusuke, Kaltak Merzuk, Nakamura Kazuma, Taranto Ciro, Sakai Shiro, Toschi Alessandro, Arita Ryotaro, Held Karsten, Kresse Georg, Imada Masatoshi
    Effective on-site interaction for dynamical mean-field theory
    PHYSICAL REVIEW B 86, 085117 (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)
  • Toschi A., Arita R., Hansmann P., Sangiovanni G., Held K.
    Quantum dynamical screening of the local magnetic moment in Fe-based superconductors
    PHYSICAL REVIEW B 86, 064411 (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)

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