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
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Muthsam Herbert J., Kupka Friedrich, Mundprecht Eva, Zaussinger Florian, Grimm-Strele Hannes, Happenhofer Natalie
Simulations of stellar convection, pulsation and semiconvection
ASTROPHYSICAL DYNAMICS: FROM STARS TO GALAXIES 271, 179 (2011) -
Igenbergs Katharina, Wallerberger Markus, Schweinzer Josef, Aumayr Friedrich
Atomic-Orbital Close-Coupling Calculations Of Electron Capture From Hydrogen Atoms Into Highly Excited Rydberg States Of Multiply Charged Ions
APPLICATION OF ACCELERATORS IN RESEARCH AND INDUSTRY: TWENTY-FIRST INTERNATIONAL CONFERENCE 1336, 97 (2011) -
Neubauer David, Vrtala Aron, Leitner Johannes J., Firneis Maria G., Hitzenberger Regina
Development of a Model to Compute the Extension of Life Supporting Zones for Earth-Like Exoplanets
ORIGINS OF LIFE AND EVOLUTION OF BIOSPHERES 41, 545 (2011) -
Koch Christian, Likos Christos N., Panagiotopoulos Athanassios Z., Lo Verso Federica
Self-assembly scenarios of block copolymer stars
MOLECULAR PHYSICS 109, 3049 (2011) -
Solc Roland, Gerzabek Martin H., Lischka Hans, Tunega Daniel
Wettability of kaolinite (001) surfaces - Molecular dynamic study
GEODERMA 169, 47 (2011) -
Meleshyn A., Tunega D.
Adsorption of phenanthrene on Na-montmorillonite: A model study
GEODERMA 169, 41 (2011) -
Aquino Adelia J. A., Tunega Daniel, Pasalic Hasan, Schaumann Gabriele E., Haberhauer Georg, Gerzabek Martin H., Lischka Hans
Study of solvent effect on the stability of water bridge-linked carboxyl groups in humic acid models
GEODERMA 169, 20 (2011) -
Tunega Daniel, Gerzabek Martin H., Totsche Kai U.
Advances of molecular modeling of biogeochemical interfaces in soils
GEODERMA 169, 1 (2011) -
Suess D., Breth L., Lee J., Fuger M., Vogler C., Bruckner F., Bergmair B., Huber T., Fidler J.
Calculation of coercivity of magnetic nanostructures at finite temperatures
PHYSICAL REVIEW B 84, 224421 (2011) -
Knape Kirsten, Linder Tobias, Wolschann Peter, Beyer Anton, Stary-Weinzinger Anna
In silico Analysis of Conformational Changes Induced by Mutation of Aromatic Binding Residues: Consequences for Drug Binding in the hERG K+ Channel
PLOS ONE 6, e28778 (2011) -
Rohringer G., Toschi A., Katanin A., Held K.
Critical Properties of the Half-Filled Hubbard Model in Three Dimensions
PHYSICAL REVIEW LETTERS 107, 256402 (2011) -
Jungblut S., Dellago C.
Heterogeneous crystallization on tiny clusters
EPL 96, 56006 (2011) -
Koch Hans Peter, Laskowski Robert, Blaha Peter, Schwarz Karlheinz
Adsorption of gold atoms on the h-BN/Rh(111) nanomesh
PHYSICAL REVIEW B 84, 245410 (2011) -
Carrington M. E., Rebhan A.
Perturbative and non-perturbative Kolmogorov turbulence in a gluon plasma
EUROPEAN PHYSICAL JOURNAL C 71, 1787 (2011) -
Daeungern Rathawat, Kungwan Nawee, Wolschann Peter, Aquino Adelia J. A., Lischka Hans, Barbatti Mario
Excited-State Intermolecular Proton Transfer Reactions of 7-Azaindole(MeOH)(n) (n=1-3) Clusters in the Gas phase: On-the-Fly Dynamics Simulation
JOURNAL OF PHYSICAL CHEMISTRY A 115, 14129 (2011) -
Libisch F., Rotter S., Burgdoerfer J.
Disorder scattering in graphene nanoribbons
PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS 248, 2598 (2011) -
Lumpi Daniel, Stoeger Berthold, Hametner Christian, Kubel Frank, Reider Georg, Hagemann Hans, Karpfen Alfred, Froehlich Johannes
Modified ene-yne compounds: a novel functional material with nonlinear optical properties
CRYSTENGCOMM 13, 7194 (2011) -
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)
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