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:
  • 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)
  • Tran Fabien, Blaha Peter
    Implementation of screened hybrid functionals based on the Yukawa potential within the LAPW basis set
    PHYSICAL REVIEW B 83, 235118 (2011)
  • Schmidt Johannes, Leduc Sylvain, Dotzauer Erik, Schmid Erwin
    Cost-effective policy instruments for greenhouse gas emission reduction and fossil fuel substitution through bioenergy production in Austria
    ENERGY POLICY 39, 3261 (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)
  • Brezinova Iva, Collins Lee A., Ludwig Katharina, Schneider Barry I., Burgdoerfer Joachim
    Wave chaos in the nonequilibrium dynamics of the Gross-Pitaevskii equation
    PHYSICAL REVIEW A 83, 043611 (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)
  • Nagele S., Pazourek R., Feist J., Doblhoff-Dier K., Lemell C., Tokesi K., Burgdoerfer J.
    Time-resolved photoemission by attosecond streaking: extraction of time information
    JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS 44, 081001 (2011)
  • Bulyha Alena, Heitzinger Clemens
    An algorithm for three-dimensional Monte-Carlo simulation of charge distribution at biofunctionalized surfaces
    NANOSCALE 3, 1608 (2011)
  • Aquino Adelia J. A., Tunega Daniel, Schaumann Gabriele E., Haberhauer Georg, Gerzabek Martin H., Lischka Hans
    The Functionality of Cation Bridges for Binding Polar Groups in Soil Aggregates
    INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 111, 1531 (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)
  • Rotter Stefan, Ambichl Philipp, Libisch Florian
    Generating Particlelike Scattering States in Wave Transport
    PHYSICAL REVIEW LETTERS 106, 120602 (2011)
  • Heitzinger Clemens, Ringhofer Christian
    A TRANSPORT EQUATION FOR CONFINED STRUCTURES DERIVED FROM THE BOLTZMANN EQUATION
    COMMUNICATIONS IN MATHEMATICAL SCIENCES 9, 829 (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)
  • Hsu Han, Blaha Peter, Cococcioni Matteo, Wentzcovitch Renata M.
    Spin-State Crossover and Hyperfine Interactions of Ferric Iron in MgSiO3 Perovskite
    PHYSICAL REVIEW LETTERS 106, 118501 (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)
  • Wallerberger Markus, Igenbergs Katharina, Schweinzer Josef, Aumayr Friedrich
    Fast computation of close-coupling exchange integrals using polynomials in a tree representation
    COMPUTER PHYSICS COMMUNICATIONS 182, 775 (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)
  • Klepsch Sabine, Aquino Adelia J. A., Haas Ursula, Tunega Daniel, Haberhauer Georg, Gerzabek Martin H., Lischka Hans
    Sorption of Selected Aromatic Substances-Application of Kinetic Concepts and Quantum Mechanical Modeling
    WATER AIR AND SOIL POLLUTION 215, 449 (2011)

Search results 841 until 870 of 936