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.
 



834 entries found
with the tags:
  • Mueller Danny, Knoll Christian, Seifried Marco, Weinberger Peter
    ATR or transmission-A variable temperature study comparing both techniques using [Fe(3ditz)(3)](BF4)(2) as model system
    VIBRATIONAL SPECTROSCOPY 86, 198 (2016)
  • Borges Itamar Jr., Uhl Elmar, Modesto-Costa Lucas, Aquino Adelia J. A., Lischka Hans
    Insight into the Excited State Electronic and Structural Properties of the Organic Photovoltaic Donor Polymer Poly(thieno[3,4-b]thiophene benzodithiophene) by Means of ab Initio and Density Functional Theory
    JOURNAL OF PHYSICAL CHEMISTRY C 120, 21818 (2016)
  • Ivanov A. N., Cronenberg G., Hoellwieser R., Jenke T., Pitschmann M., Wellenzohn M., Abele H.
    Exact solution for chameleon field, self-coupled through the Ratra-Peebles potential with n=1 and confined between two parallel plates
    PHYSICAL REVIEW D 94, 085005 (2016)
  • Rupp Karl, Weinbub Josef, Juengel Ansgar, Grasser Tibor
    Pipelined Iterative Solvers with Kernel Fusion for Graphics Processing Units
    ACM TRANSACTIONS ON MATHEMATICAL SOFTWARE 43, 11 (2016)
  • Kernbichler W., Kasilov S. V., Kapper G., Martitsch A. F., Nemov V. V., Albert C., Heyn M. F.
    Solution of drift kinetic equation in stellarators and tokamaks with broken symmetry using the code NEO-2
    PLASMA PHYSICS AND CONTROLLED FUSION 58, 104001 (2016)
  • McCann Jamie, Schneeweiss Gerald M., Stuessy Tod F., Villasenor Jose L., Weiss-Schneeweiss Hanna
    The Impact of Reconstruction Methods, Phylogenetic Uncertainty and Branch Lengths on Inference of Chromosome Number Evolution in American Daisies (Melampodium, Asteraceae)
    PLOS ONE 11, e0162299 (2016)
  • Jungblut Swetlana, Dellago Christoph
    Heterogeneous Crystallization on Pairs of Pre-Structured Seeds
    JOURNAL OF PHYSICAL CHEMISTRY B 120, 9230 (2016)
  • Tona Veronica, Ruider Stefan A., Berger Martin, Shaaban Saad, Padmanaban Mohan, Xie Lan-Gui, Gonzalez Leticia, Maulide Nuno
    Divergent ynamide reactivity in the presence of azides - an experimental and computational study
    CHEMICAL SCIENCE 7, 6032 (2016)
  • Muldoon Frank H., Kuhlmann Hendrik C.
    Origin of particle accumulation structures in liquid bridges: Particle-boundary-interactions versus inertia
    PHYSICS OF FLUIDS 28, 073305 (2016)
  • Doppler Jorg, Mailybaev Alexei A., Bohm Julian, Kuhl Ulrich, Girschik Adrian, Libisch Florian, Milburn Thomas J., Rabl Peter, Moiseyev Nimrod, Rotter Stefan
    Dynamically encircling an exceptional point for asymmetric mode switching
    NATURE 537, 76 (2016)
  • Scheiber Daniel, Pippan Reinhard, Puschnig Peter, Ruban Andrei, Romaner Lorenz
    Ab-initio search for cohesion-enhancing solute elements at grain boundaries in molybdenum and tungsten
    INTERNATIONAL JOURNAL OF REFRACTORY METALS & HARD MATERIALS 60, 75 (2016)
  • Leitold Christian, Dellago Christoph
    Nucleation and structural growth of cluster crystals
    JOURNAL OF CHEMICAL PHYSICS 145, 074504 (2016)
  • Silva Nadeesha J., Machado Francisco B. C., Lischka Hans, Aquino Adelia J. A.
    pi-pi stacking between polyaromatic hydrocarbon sheets beyond dispersion interactions
    PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18, 22300 (2016)
  • Sato Takeshi, Ishikawa Kenichi L., Brezinova Iva, Lackner Fabian, Nagele Stefan, Burgdoerfer Joachim
    Time-dependent complete-active-space self-consistent-field method for atoms: Application to high-order harmonic generation
    PHYSICAL REVIEW A 94, 023405 (2016)
  • Bliem Roland, van der Hoeven Jessi E. S., Hulva Jan, Pavelec Jiri, Gamba Oscar, de Jongh Petra E., Schmid Michael, Blaha Peter, Diebold Ulrike, Parkinson Gareth S.
    Dual role of CO in the stability of subnano Pt clusters at the Fe3O4(001) surface
    PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA 113, 8921 (2016)
  • Vazdar Mario, Eckert-Maksic Mirjana, Lischka Hans
    The Antiferromagnetic Spin Coupling in Non-Kekule Acenes-Impressive Polyradical Character Revealed by High-Level Multireference Methods
    CHEMPHYSCHEM 17, 2013 (2016)
  • 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)
  • 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)

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