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:
  • Plasser Felix, Gonzalez Leticia
    Communication: Unambiguous comparison of many-electron wavefunctions through their overlaps
    JOURNAL OF CHEMICAL PHYSICS 145, 021103 (2016)
  • Reilly Anthony M., Cooper Richard I., Adjiman Claire S., Bhattacharya Saswata, Boese A. Daniel, Brandenburg Jan Gerit, Bygrave Peter J., Bylsma Rita, Campbell Josh E., Car Roberto, Case David H., Chadha Renu, Cole Jason C., Cosburn Katherine, Cuppen Herma
    Report on the sixth blind test of organic crystal structure prediction methods
    ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE CRYSTAL ENGINEERING AND MATERIALS 72, 439 (2016)
  • Morawietz Tobias, Singraber Andreas, Dellago Christoph, Behler Joerg
    How van der Waals interactions determine the unique properties of water
    PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA 113, 8368 (2016)
  • Ferstl Pascal, Hammer Lutz, Sobel Christopher, Gubo Matthias, Heinz Klaus, Schneider M. Alexander, Mittendorfer Florian, Redinger Josef
    Self-Organized Growth, Structure, and Magnetism of Monatomic Transition-Metal Oxide Chains
    PHYSICAL REVIEW LETTERS 117, 046101 (2016)
  • Greensite Jeff, Hoellwieser Roman
    Relative weights approach to SU(3) gauge theories with dynamical fermions at finite density
    PHYSICAL REVIEW D 94, 014504 (2016)
  • Zingl Manuel, Assmann Elias, Seth Priyanka, Krivenko Igor, Aichhorn Markus
    Importance of effective dimensionality in manganese pnictides
    PHYSICAL REVIEW B 94, 045130 (2016)
  • Wan Lin, Wendner Roman, Cusatis Gianluca
    A novel material for in situ construction on Mars: experiments and numerical simulations
    CONSTRUCTION AND BUILDING MATERIALS 120, 222 (2016)
  • Tona Veronica, de la Torre Aurelien, Padmanaban Mohan, Ruider Stefan, Gonzalez Leticia, Maulide Nuno
    Chemo- and Stereoselective Transition-Metal-Free Amination of Amides with Azides
    JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 138, 8348 (2016)
  • Wimmer Yannick, El-Sayed Al-Moatasem, Goes Wolfgang, Grasser Tibor, Shluger Alexander L.
    Role of hydrogen in volatile behaviour of defects in SiO2-based electronic devices
    PROCEEDINGS OF THE ROYAL SOCIETY A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES 472, 20160009 (2016)
  • Sanyal Prabuddha, Halder Anita, Si Liang, Wallerberger Markus, Held Karsten, Saha-Dasgupta Tanusri
    Magnetism in Sr2CrMoO6: A combined ab initio and model study
    PHYSICAL REVIEW B 94, (2016)
  • Einkemmer Lukas
    A resistive magnetohydrodynamics solver using modern C plus plus and the Boost library
    COMPUTER PHYSICS COMMUNICATIONS 206, 69 (2016)
  • Huber Veronika, Bikaljevic Djuro, Redinger Josef, Memmel Norbert
    Structure of Low and High Coverage Phases of Bromine on Pd(110)
    JOURNAL OF PHYSICAL CHEMISTRY C 120, 13523 (2016)
  • Nazemi Sanaz, Pourfath Mahdi, Soleimani Ebrahim Asl, Kosina Hans
    The effect of oxide shell thickness on the structural, electronic, and optical properties of Si-SiO2 core-shell nano-crystals: A (time dependent)density functional theory study
    JOURNAL OF APPLIED PHYSICS 119, 144302 (2016)
  • Wirnsberger P., Fijan D., Saric A., Neumann M., Dellago C., Frenkel D.
    Non-equilibrium simulations of thermally induced electric fields in water
    JOURNAL OF CHEMICAL PHYSICS 144, 224102 (2016)
  • Mayr Lukas, Shi Xuerong, Koepfle Norbert, Kloetzer Bernhard, Zemlyanov Dmitry Y., Penner Simon
    Tuning of the copper-zirconia phase boundary for selectivity control of methanol conversion
    JOURNAL OF CATALYSIS 339, 111 (2016)
  • Schoeffler Markus S., Xie Xinhua, Wustelt Philipp, Moeller Max, Roither Stefan, Kartashov Daniil, Sayler A. Max, Baltuska Andrius, Paulus Gerhard G., Kitzler Markus
    Laser-subcycle control of sequential double-ionization dynamics of helium
    PHYSICAL REVIEW A 93, 063421 (2016)
  • Tran Fabien, Stelzl Julia, Blaha Peter
    Rungs 1 to 4 of DFT Jacob's ladder: Extensive test on the lattice constant, bulk modulus, and cohesive energy of solids
    JOURNAL OF CHEMICAL PHYSICS 144, 204120 (2016)
  • Plasser Felix
    Entanglement entropy of electronic excitations
    JOURNAL OF CHEMICAL PHYSICS 144, 194107 (2016)
  • Mai Sebastian, Marquetand Philipp, Gonzalez Leticia
    Intersystem Crossing Pathways in the Noncanonical Nucleobase 2-Thiouracil: A Time-Dependent Picture
    JOURNAL OF PHYSICAL CHEMISTRY LETTERS 7, 1978 (2016)
  • Mahynski Nathan A., Rovigatti Lorenzo, Likos Christos N., Panagiotopoulos Athanassios Z.
    Bottom-Up Colloidal Crystal Assembly with a Twist
    ACS NANO 10, 5459 (2016)
  • Pudleiner P., Schaefer T., Rost D., Li G., Held K., Bluemer N.
    Momentum structure of the self-energy and its parametrization for the two-dimensional Hubbard model
    PHYSICAL REVIEW B 93, 195134 (2016)
  • Choi Joong Il Jake, Mayr-Schmolzer Wernfried, Valenti Ilaria, Luches Paola, Mittendorfer Florian, Redinger Josef, Diebold Ulrike, Schmid Michael
    Metal Adatoms and Clusters on Ultrathin Zirconia Films
    JOURNAL OF PHYSICAL CHEMISTRY C 120, 9920 (2016)
  • Reinisch E. M., Puschnig P., Ules T., Ramsey M. G., Koller G.
    Layer-resolved photoemission tomography: The p-sexiphenyl bilayer upon Cs doping
    PHYSICAL REVIEW B 93, 155438 (2016)
  • Aman J. A., DeSalvo B. J., Dunning F. B., Killian T. C., Yoshida S., Burgdoerfer J.
    Trap losses induced by near-resonant Rydberg dressing of cold atomic gases
    PHYSICAL REVIEW A 93, (2016)
  • Kreutzer Johannes, Blaha Peter, Schubert Ulrich
    Assessment of different basis sets and DFT functionals for the calculation of structural parameters, vibrational modes and ligand binding energies of Zr4O2(carboxylate)(12) clusters
    COMPUTATIONAL AND THEORETICAL CHEMISTRY 1084, 162 (2016)
  • Huber Markus Q.
    Correlation functions of three-dimensional Yang-Mills theory from Dyson-Schwinger equations
    PHYSICAL REVIEW D 93, 085033 (2016)
  • Wang Z., Loon A., Subramanian A., Gerhold S., McDermott E., Enterkin J. A., Hieckel M., Russell B. C., Green R. J., Moewes A., Guo J., Blaha P., Castell M. R., Diebold U., Marks L. D.
    Transition from Reconstruction toward Thin Film on the (110) Surface of Strontium Titanate
    NANO LETTERS 16, 2407 (2016)
  • Maier Juergen, Detz Hermann
    Atomistic modeling of interfaces in III-V semiconductor superlattices
    PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS 253, 613 (2016)
  • Ilyas Nahid, Harivyasi Shashank S., Zahl Percy, Cortes Rocio, Hofmann Oliver T., Sutter Peter, Zojer Egbert, Monti Oliver L. A.
    Sticking with the Pointy End? Molecular Configuration of Chloro Boron-Subphthalocyanine on Cu(111)
    JOURNAL OF PHYSICAL CHEMISTRY C 120, 7113 (2016)
  • Li Gang, Wentzell Nils, Pudleiner Petra, Thunstroem Patrik, Held Karsten
    Efficient implementation of the parquet equations: Role of the reducible vertex function and its kernel approximation
    PHYSICAL REVIEW B 93, 165103 (2016)

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