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.
 



779 entries found
with the tags:
  • Koefinger Juergen, Dellago Christoph
    Microscopic properties of nanopore water from its time-dependent dielectric response
    PHYSICAL REVIEW B 82, 205416 (2010)
  • Heitzinger Clemens, Liu Yang, Mauser Norbert J., Ringhofer Christian, Dutton Robert W.
    Calculation of Fluctuations in Boundary Layers of Nanowire Field-Effect Biosensors
    JOURNAL OF COMPUTATIONAL AND THEORETICAL NANOSCIENCE 7, 2574 (2010)
  • Murg V., Verstraete F., Legeza Oe., Noack R. M.
    Simulating strongly correlated quantum systems with tree tensor networks
    PHYSICAL REVIEW B 82, 205105 (2010)
  • Laskowski Robert, Blaha Peter
    Understanding the L-2,L-3 x-ray absorption spectra of early 3d transition elements
    PHYSICAL REVIEW B 82, 205104 (2010)
  • Borrero Ernesto E., Dellago Christoph
    Overcoming barriers in trajectory space: Mechanism and kinetics of rare events via Wang-Landau enhanced transition path sampling
    JOURNAL OF CHEMICAL PHYSICS 133, 134112 (2010)
  • Geiger Philipp, Dellago Christoph
    Identifying rare chaotic and regular trajectories in dynamical systems with Lyapunov weighted path sampling
    CHEMICAL PHYSICS 375, 309 (2010)
  • Schoell-Paschinger Elisabeth, Dellago Christoph
    Demixing of a binary symmetric mixture studied with transition path sampling
    JOURNAL OF CHEMICAL PHYSICS 133, 104505 (2010)
  • Mueller Frank, Huefner Stefan, Sachdev Hermann, Laskowski Robert, Blaha Peter, Schwarz Karlheinz
    Epitaxial growth of hexagonal boron nitride on Ag(111)
    PHYSICAL REVIEW B 82, 113406 (2010)
  • Szymczak Jaroslaw J., Mueller Thomas, Lischka Hans
    The effect of hydration on the photo-deactivation pathways of 4-aminopyrimidine
    CHEMICAL PHYSICS 375, 110 (2010)
  • Barbatti Mario, Pittner Jiri, Pederzoli Marek, Werner Ute, Mitric Roland, Bonacic-Koutecky Vlasta, Lischka Hans
    Non-adiabatic dynamics of pyrrole: Dependence of deactivation mechanisms on the excitation energy
    CHEMICAL PHYSICS 375, 26 (2010)
  • Kabliman Evgeniya, Blaha Peter, Schwarz Karlheinz
    Ab initio study of stabilization of the misfit layer compound (PbS)(1.14)TaS2
    PHYSICAL REVIEW B 82, 125308 (2010)
  • Nachtigallova Dana, Barbatti Mario, Szymczak Jaroslaw J., Hobza Pavel, Lischka Hans
    The photodynamics of 2,4-diaminopyrimidine in comparison with 4-aminopyrimidine: The effect of amino-substitution
    CHEMICAL PHYSICS LETTERS 497, 129 (2010)
  • Smrcok Lubomir, Tunega Daniel, Ramirez-Cuesta Anibal Javier, Scholtzova Eva
    The combined inelastic neutron scattering and solid state DFT study of hydrogen atoms dynamics in a highly ordered kaolinite
    PHYSICS AND CHEMISTRY OF MINERALS 37, 571 (2010)
  • Punkvang Auradee, Saparpakorn Patchreenart, Hannongbua Supa, Wolschann Peter, Berner Heinz, Pungpo Pornpan
    Insight into crucial inhibitor-enzyme interaction of arylamides as novel direct inhibitors of the enoyl ACP reductase (InhA) from Mycobacterium tuberculosis: computer-aided molecular design
    MONATSHEFTE FUR CHEMIE 141, 1029 (2010)
  • Schratzberger J., Lee J., Fuger M., Fidler J., Fiedler G., Schrefl T., Suess D.
    Validation of the transition state theory with Langevin-dynamics simulations
    JOURNAL OF APPLIED PHYSICS 108, 033915 (2010)
  • Koll A., Janski J., Karpfen A., Wolschann P.
    Bifunctional influence of 3-chloro substitution on structural and energetic characteristics of N-methyl-salicylidene imines
    JOURNAL OF MOLECULAR STRUCTURE 976, 19 (2010)
  • Pasalic Hasan, Aquino Adelia J. A., Tunega Daniel, Haberhauer Georg, Gerzabek Martin H., Georg Herbert C., Moraes Tatiane F., Coutinho Kaline, Canuto Sylvio, Lischka Hans
    Thermodynamic Stabillity of Hydrogen-Bonded Systems in Polar and Nonpolar Environments
    JOURNAL OF COMPUTATIONAL CHEMISTRY 31, 2046 (2010)
  • Berghout Abid, Tunega Daniel, Zaoui Ali
    DENSITY FUNCTIONAL THEORY (DFT) STUDY OF THE HYDRATION STEPS OF Na+/Mg2+/Ca2+/Sr2+/Ba2+-EXCHANGED MONTMORILLONITES
    CLAYS AND CLAY MINERALS 58, 174 (2010)
  • Valli A., Sangiovanni G., Gunnarsson O., Toschi A., Held K.
    Dynamical Vertex Approximation for Nanoscopic Systems
    PHYSICAL REVIEW LETTERS 104, 246402 (2010)
  • Pizorn Iztok, Verstraete Frank
    Fermionic implementation of projected entangled pair states algorithm
    PHYSICAL REVIEW B 81, 245110 (2010)
  • Hansmann P., Arita R., Toschi A., Sakai S., Sangiovanni G., Held K.
    Dichotomy between Large Local and Small Ordered Magnetic Moments in Iron-Based Superconductors
    PHYSICAL REVIEW LETTERS 104, 197002 (2010)
  • Hoellwieser Roman, Faber Manfried
    DISTRIBUTION OF MAGNETIC MONOPOLES WITHIN CUBES IN COMPACT QED
    INTERNATIONAL JOURNAL OF MODERN PHYSICS A 25, 1853 (2010)
  • Heitzinger Clemens, Mauser Norbert J., Ringhofer Christian
    MULTISCALE MODELING OF PLANAR AND NANOWIRE FIELD-EFFECT BIOSENSORS
    SIAM JOURNAL ON APPLIED MATHEMATICS 70, 1634 (2010)
  • Rebhan Anton, Steineder Dominik
    Collective modes and instabilities in anisotropically expanding ultarelativistic plasmas
    PHYSICAL REVIEW D 81, 085044 (2010)
  • Smrcok L'Ubomir, Tunega Daniel, Ramirez-Cuesta Anibal Javier, Ivanov Alexander, Valuchova Jana
    THE COMBINED INELASTIC NEUTRON SCATTERING (INS) AND SOLID-STATE DFT STUDY OF HYDROGEN-ATOMS DYNAMICS IN KAOLINITE-DIMETHYLSULFOXIDE INTERCALATE
    CLAYS AND CLAY MINERALS 58, 52 (2010)
  • Karpfen Alfred, Kryachko Eugene S.
    The dimers of glyoxal and acrolein with H2O and HF: Negative intramolecular coupling and blue-shifted C-H stretch
    CHEMICAL PHYSICS LETTERS 489, 39 (2010)
  • Muthsam H. J., Kupka F., Loew-Baselli B., Obertscheider C., Langer M., Lenz P.
    ANTARES - A Numerical Tool for Astrophysical RESearch with applications to solar granulation
    NEW ASTRONOMY 15, 460 (2010)
  • Laskowski Robert, Blaha Peter
    Ab initio study of h-BN nanomeshes on Ru(001), Rh(111), and Pt(111)
    PHYSICAL REVIEW B 81, 075418 (2010)
  • Lidy Thomas, Silla Carlos N. Jr., Cornelis Olmo, Gouyon Fabien, Rauber Andreas, Kaestner Celso A. A., Koerich Alessandro L.
    On the suitability of state-of-the-art music information retrieval methods for analyzing, categorizing and accessing non-Western and ethnic music collections
    SIGNAL PROCESSING 90, 1032 (2010)
  • Springel Volker
    E pur si muove: Galilean-invariant cosmological hydrodynamical simulations on a moving mesh
    MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY 401, 791 (2010)

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