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:
  • Mittendorfer F., Garhofer A., Redinger J., Klimes J., Harl J., Kresse G.
    Graphene on Ni(111): Strong interaction and weak adsorption
    PHYSICAL REVIEW B 84, 201401 (2011)
  • Seibold Marcus, Wolschann Peter, Olsen Ole
    Joint occurrence of the bubble protein and mycophenolic acid in Penicillium brevicompactum Dierckx
    MONATSHEFTE FUR CHEMIE 142, 1309 (2011)
  • Kabliman Evgeniya, Blaha Peter, Schwarz Karlheinz, Peil Oleg E., Ruban Andrei V., Johansson Boerje
    Configurational thermodynamics of the Fe-Cr sigma phase
    PHYSICAL REVIEW B 84, 184206 (2011)
  • Seibold Marcus, Wolschann Peter, Bodevin Sabrina, Olsen Ole
    Properties of the bubble protein, a defensin and an abundant component of a fungal exudate
    PEPTIDES 32, 1989 (2011)
  • Das Hena, Sangiovanni G., Valli A., Held K., Saha-Dasgupta T.
    Size Control of Charge-Orbital Order in Half-Doped Manganite La0.5Ca0.5MnO3
    PHYSICAL REVIEW LETTERS 107, 197202 (2011)
  • Wilms Johannes, Troyer Matthias, Verstraete Frank
    Mutual information in classical spin models
    JOURNAL OF STATISTICAL MECHANICS-THEORY AND EXPERIMENT None, P10011 (2011)
  • Mittendorfer Florian, Franz Thomas, Klikovits Jan, Schmid Michael, Merte Lindsay R., Zaman Sameena Shah, Varga Peter, Westerstrom Rasmus, Resta Andrea, Andersen Jesper N., Gustafson Johan, Lundgren Edvin
    Oxygen-Stabilized Rh Adatoms: 0D Oxides on a Vicinal Surface
    JOURNAL OF PHYSICAL CHEMISTRY LETTERS 2, 2747 (2011)
  • Faraji S., Vazdar M., Reddy V. Sivaranjana, Eckert-Maksic M., Lischka H., Koeppel H.
    Ab initio quantum dynamical study of the multi-state nonadiabatic photodissociation of pyrrole
    JOURNAL OF CHEMICAL PHYSICS 135, 154310 (2011)
  • Lischka Hans, Mueller Thomas, Szalay Peter G., Shavitt Isaiah, Pitzer Russell M., Shepard Ron
    COLUMBUS-a program system for advanced multireference theory calculations
    WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE 1, 191 (2011)
  • Tunega D., Pasalic H., Gerzabek M. H., Lischka H.
    Theoretical study of structural, mechanical and spectroscopic properties of boehmite (gamma-AlOOH)
    JOURNAL OF PHYSICS-CONDENSED MATTER 23, 404201 (2011)
  • Wyker B., Ye S., Dunning F. B., Yoshida S., Reinhold C. O., Burgdoerfer J.
    Probing the spatial distribution of high-angular-momentum Rydberg wave packets
    PHYSICAL REVIEW A 84, 043412 (2011)
  • Cwiklik Lukasz, Aquino Adelia J. A., Vazdar Mario, Jurkiewicz Piotr, Pittner Jiri, Hof Martin, Lischka Hans
    Absorption and Fluorescence of PRODAN in Phospholipid Bilayers: A Combined Quantum Mechanics and Classical Molecular Dynamics Study
    JOURNAL OF PHYSICAL CHEMISTRY A 115, 11428 (2011)
  • Pederzoli Marek, Pittner Jiri, Barbatti Mario, Lischka Hans
    Nonadiabatic Molecular Dynamics Study of the cis-trans Photoisomerization of Azobenzene Excited to the S-1 State
    JOURNAL OF PHYSICAL CHEMISTRY A 115, 11136 (2011)
  • Nardai Michael M., Zifferer Gerhard
    Concentration Dependence of Size, Shape, and Orientation of Copolymers, 1-Linear Diblock and 4-arm Hetero Star Polymers
    MACROMOLECULAR THEORY AND SIMULATIONS 20, 675 (2011)
  • Aquino Adelia J. A., Tunega Daniel, Pasalic Hasan, Schaumann Gabriele E., Haberhauer Georg, Gerzabek Martin H., Lischka Hans
    Molecular Dynamics Simulations of Water Molecule-Bridges in Polar Domains of Humic Acids
    ENVIRONMENTAL SCIENCE & TECHNOLOGY 45, 8411 (2011)
  • Szymczak Jaroslaw J., Barbatti Mario, Lischka Hans
    Influence of the Active Space on CASSCF Nonadiabatic Dynamics Simulations
    INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 111, 3307 (2011)
  • Garg Vivek, Stary-Weinzinger Anna, Sachse Frank, Sanguinetti Michael C.
    Molecular Determinants for Activation of Human Ether-a-go-go-related Gene 1 Potassium Channels by 3-Nitro-N-(4-phenoxyphenyl) Benzamide
    MOLECULAR PHARMACOLOGY 80, 630 (2011)
  • Wyker B., Ye S., McKinney T. J., Dunning F. B., Yoshida S., Reinhold C. O., Burgdoerfer J.
    Decoherence of high-l Rydberg wave packets
    JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS 44, 184002 (2011)
  • Schmidt Johannes, Gass Viktoria, Schmid Erwin
    Land use changes, greenhouse gas emissions and fossil fuel substitution of biofuels compared to bioelectricity production for electric cars in Austria
    BIOMASS & BIOENERGY 35, 4060 (2011)
  • Attems M., Rebhan A., Strickland M.
    Plasma Instabilities in Heavy Ion Collisions
    IX INTERNATIONAL CONFERENCE ON QUARK CONFINEMENT AND THE HADRON SPECTRUM (QCHS IX) 1343, 614 (2011)
  • Hoellwieser R., Faber M., Heller U. M.
    Violations of the Lattice Index Theorem for Spherical Center Vortices
    IX INTERNATIONAL CONFERENCE ON QUARK CONFINEMENT AND THE HADRON SPECTRUM (QCHS IX) 1343, 227 (2011)
  • Svardal Hannes, Rueffler Claus, Hermisson Joachim
    COMPARING ENVIRONMENTAL AND GENETIC VARIANCE AS ADAPTIVE RESPONSE TO FLUCTUATING SELECTION
    EVOLUTION 65, 2492 (2011)
  • Ipp Andreas, Rebhan Anton, Strickland Michael
    Non-Abelian plasma instabilities: SU(3) versus SU(2)
    PHYSICAL REVIEW D 84, 056003 (2011)
  • Huissmann Sebastian, Likos Christos N., Blaak Ronald
    Effective interactions between charged dendrimers
    SOFT MATTER 7, 8419 (2011)
  • Bucko Tomas, Tunega Daniel, Angyan Janos G., Hafner Juergen
    Ab Initio Study of Structure and Interconversion of Native Cellulose Phases
    JOURNAL OF PHYSICAL CHEMISTRY A 115, 10097 (2011)
  • Wissgott P., Toschi A., Sangiovanni G., Held K.
    Effects of electronic correlations and disorder on the thermopower of NaxCoO2
    PHYSICAL REVIEW B 84, 085129 (2011)
  • Saparpakorn Patchreenart, Wolschann Peter, Karpfen Alfred, Pungpo Pornpan, Hannongbua Supa
    Systematic investigation on the binding of GW420867X as HIV-1 reverse transcriptase inhibitor
    MONATSHEFTE FUR CHEMIE 142, 961 (2011)
  • Haegeman Jutho, Cirac J. Ignacio, Osborne Tobias J., Pizorn Iztok, Verschelde Henri, Verstraete Frank
    Time-Dependent Variational Principle for Quantum Lattices
    PHYSICAL REVIEW LETTERS 107, 070601 (2011)
  • Knape Kirsten, Linder Tobias, Stary-Weinzinger Anna
    MD simulations reveal mutation induced reorientation of binding residues in the hERG K plus channel
    EUROPEAN BIOPHYSICS JOURNAL WITH BIOPHYSICS LETTERS 40, 173 (2011)
  • Suwattanasophon Chonticha, Faller Roland, Wolschann Peter, Stary-Weinzinger Anna
    Molecular dynamics simulations on the function of the transmembrane Cav1.2 channel in dependence of the content of cholesterol in the membrane
    EUROPEAN BIOPHYSICS JOURNAL WITH BIOPHYSICS LETTERS 40, 118 (2011)

Search results 721 until 750 of 859