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.
 



460 entries found
with the tags: Universität Wien x
  • Muthsam H. J.
    NUMERICAL SIMULATIONS OF SOLAR AND STELLAR CONVECTION USING THE ANTARES CODE
    GRAND CHALLENGES IN COMPUTATIONAL ASTROPHYSICS 44, 97 (2011)
  • Zeleny Tomas, Hobza Pavel, Nachtigallova Dana, Ruckenbauer Matthias, Lischka Hans
    PHOTODYNAMICS OF THE ADENINE MODEL 4-AMINOPYRIMIDINE EMBEDDED WITHIN DOUBLE STRAND OF DNA
    COLLECTION OF CZECHOSLOVAK CHEMICAL COMMUNICATIONS 76, 631 (2011)
  • Miliyanchuk K., Kneidinger F., Blaas-Schenner C., Reith D., Podloucky R., Rogl P., Khan T., Salamakha L., Hilscher G., Michor H., Bauer E., Hillier A. D.
    Platinum metal silicides and germanides: superconductivity in non-centrosymmetric intermetallics
    INTERNATIONAL CONFERENCE ON STRONGLY CORRELATED ELECTRON SYSTEMS (SCES 2010) 273, 012078 (2011)
  • Lonetti B., Camargo M., Stellbrink J., Likos C. N., Zaccarelli E., Willner L., Lindner P., Richter D.
    Ultrasoft Colloid-Polymer Mixtures: Structure and Phase Diagram
    PHYSICAL REVIEW LETTERS 106, 228301 (2011)
  • Lenz Dominic A., Mladek Bianca M., Likos Christos N., Kahl Gerhard, Blaak Ronald
    Monomer-Resolved Simulations of Cluster-Forming Dendrimers
    JOURNAL OF PHYSICAL CHEMISTRY B 115, 7218 (2011)
  • Nachtigallova Dana, Aquino Adelia J. A., Szymczak Jaroslaw J., Barbatti Mario, Hobza Pavel, Lischka Hans
    Nonadiabatic Dynamics of Uracil: Population Split among Different Decay Mechanisms
    JOURNAL OF PHYSICAL CHEMISTRY A 115, 5247 (2011)
  • Pizorn Iztok, Wang Ling, Verstraete Frank
    Time evolution of projected entangled pair states in the single-layer picture
    PHYSICAL REVIEW A 83, 052321 (2011)
  • Weinwurm Marcus, Dellago Christoph
    Vibrational Spectroscopy of Water in Narrow Nanopores
    JOURNAL OF PHYSICAL CHEMISTRY B 115, 5268 (2011)
  • Camargo Manuel, Likos Christos N.
    Interfacial and wetting behaviour of phase-separating ultrasoft mixtures
    MOLECULAR PHYSICS 109, 1121 (2011)
  • Pluempanupat Wanchai, Abraham Michael, Brecker Lothar, Wolschann Peter, Karpfen Alfred, Arion Vladimir B., Widhalm Michael
    Synthesis and Conformation of Chiral Biheteroaryls
    JOURNAL OF ORGANIC CHEMISTRY 76, 3222 (2011)
  • Aquino Adelia J. A., Nachtigallova Dana, Hobza Pavel, Truhlar Donald G., Haettig Christof, Lischka Hans
    The Charge-Transfer States in a Stacked Nucleobase Dimer Complex: A Benchmark Study
    JOURNAL OF COMPUTATIONAL CHEMISTRY 32, 1217 (2011)
  • Zeiringer I., Chen MingXing, Bednar I., Royanian E., Bauer E., Podloucky R., Grytsiv A., Rogl P., Effenberger H.
    Phase equilibria, crystal chemistry, electronic structure and physical properties of Ag-Ba-Ge clathrates
    ACTA MATERIALIA 59, 2368 (2011)
  • Pirvu B., Verstraete F., Vidal G.
    Exploiting translational invariance in matrix product state simulations of spin chains with periodic boundary conditions
    PHYSICAL REVIEW B 83, 125104 (2011)
  • Barbatti Mario, Aquino Adelia J. A., Szymczak Jaroslaw J., Nachtigallova Dana, Lischka Hans
    Photodynamical simulations of cytosine: characterization of the ultrafast bi-exponential UV deactivation
    PHYSICAL CHEMISTRY CHEMICAL PHYSICS 13, 6145 (2011)
  • Jungblut Swetlana, Dellago Christoph
    Crystallization of a binary Lennard-Jones mixture
    JOURNAL OF CHEMICAL PHYSICS 134, 104501 (2011)
  • Avram Speranta, Duda-Seiman Daniel, Borcan Florin, Wolschann Peter
    QSAR-CoMSIA applied to antipsychotic drugs with their dopamine D-2 and serotonine 5HT(2A) membrane receptors
    JOURNAL OF THE SERBIAN CHEMICAL SOCIETY 76, 263 (2011)
  • Szalay Peter G., Aquino Adelia J. A., Barbatti Mario, Lischka Hans
    Theoretical study of the excitation spectrum of azomethane
    CHEMICAL PHYSICS 380, 9 (2011)
  • Decha Panita, Intharathep Pathumwadee, Udommaneethanakit Thanyarat, Sompornpisut Pornthep, Hannongbua Supot, Wolschann Peter, Parasuk Vudhichai
    Theoretical studies on the molecular basis of HIV-1RT/NNRTIs interactions
    JOURNAL OF ENZYME INHIBITION AND MEDICINAL CHEMISTRY 26, 29 (2011)
  • Plasser Felix, Lischka Hans
    Semiclassical dynamics simulations of charge transport in stacked pi-systems
    JOURNAL OF CHEMICAL PHYSICS 134, 034309 (2011)
  • Kitisripanya Nareerat, Saparpakorn Pachareenart, Wolschann Peter, Hannongbua Supa
    Binding of huperzine A and galanthamine to acetylcholinesterase, based on ONIOM method
    NANOMEDICINE-NANOTECHNOLOGY BIOLOGY AND MEDICINE 7, 60 (2011)
  • Franchini C., Chen Xing-Qiu, Podloucky R.
    Thickness dependent structural and electronic properties of CuO grown on SrTiO3(100): a hybrid density functional theory study
    JOURNAL OF PHYSICS-CONDENSED MATTER 23, 045004 (2011)
  • Barbatti Mario, Szymczak Jaroslaw J., Aquino Adelia J. A., Nachtigallova Dana, Lischka Hans
    The decay mechanism of photoexcited guanine - A nonadiabatic dynamics study
    JOURNAL OF CHEMICAL PHYSICS 134, 014304 (2011)
  • Barbatti Mario, Aquino Adelia J. A., Szymczak Jaroslaw J., Nachtigallova Dana, Hobza Pavel, Lischka Hans
    Relaxation mechanisms of UV-photoexcited DNA and RNA nucleobases
    PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA 107, 21453 (2010)
  • Koefinger Juergen, Dellago Christoph
    Single-file water as a one-dimensional Ising model
    NEW JOURNAL OF PHYSICS 12, 093044 (2010)
  • Ruckenbauer Matthias, Barbatti Mario, Sellner Bernhard, Muller Thomas, Lischka Hans
    Azomethane: Nonadiabatic Photodynamical Simulations in Solution
    JOURNAL OF PHYSICAL CHEMISTRY A 114, 12585 (2010)
  • Koefinger Juergen, Dellago Christoph
    Microscopic properties of nanopore water from its time-dependent dielectric response
    PHYSICAL REVIEW B 82, 205416 (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)
  • 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)

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