Publications 2011


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These papers are ordered by article relevance.

Support nanostructure boosts oxygen transfer to catalytically active platinum nanoparticles
Georgi N. Vayssilov, Yaroslava Lykhach, Annapaola Migani, Thorsten Staudt, Galina P. Petrova, Nataliya Tsud, Tomáš Skála, Albert Bruix, Francesc Illas, Kevin C. Prince,Vladimír Matolín, Konstantin M. Neyman, Jörg Libuda
Nature Materials 10, 310 - 315 (2011)
Solid-state reactions in binary molecular assemblies of F16CuPc and pentacene
Yutaka Wakayama, Dimas G. de Oteyza, Juan Maria García-Lastra, Duncan J. Mowbray
ACS Nano 5, 581 - 589 (2011)
Spectroscopic Characterization of Solvent-Mediated Folding in Dicarboxylate Dianions
Torsten Wende, Marius Wanko, Ling Jiang, Gerard Meijer, Knut R. Asmis, Angel Rubio
Angewandte Chemie-International Edition 50, 3807 - 3810 (2011)
Effect of the quantistic zero-point atomic motion on the opto-electronic properties of diamond and trans-polyacetylene
E. Cannuccia, A. Marini
Physical Review Letters 107, 255501 - 255505 (2011)
Towards a description of the Kondo effect using time-dependent density functional theory
G. Stefanucci, S. Kurth
Physical Review Letters 107, 216401 (2011)
Valence Electron Photoemission Spectrum of Semiconductors: Ab Initio Description of Multiple Satellites
Matteo Guzzo, Giovanna Lani, Francesco Sottile, Pina Romaniello, Matteo Gatti, Joshua J. Kas, John J. Rehr, Mathieu G. Silly, Fausto Sirotti, Lucia Reining
Physical Review Letters 107, 166401 (2011)
Renormalization of optical excitations in gas molecules near metal surfaces
J.M. García-Lastra, K.S. Thygesen
Physical Review Letters 106, 187402 (2011)
Anion Stabilization in Electrostatic Environments
Roberto Olivares-Amaya, Michael Stopa, Xavier Andrade, Mark A. Watson, Alan Aspuru-Guzik
Journal Of Physical Chemistry Letters 2, 682 - 688 (2011)
Path integral computation of quantum free energy differences due to alchemical transformations involving mass and potential.
Alejandro Perez, O. Anatole von Lilienfeld.
Journal Of Chemical Theory And Computation 7, 2358 - 2369 (2011)
Organizing Software Growth and Distributed Development: the Case of Abinit
Yann Pouillon, Jean-Michel Beuken, Thierry Deutsch, Marc Torrent, Xavier Gonze
Computing In Science and Engineering 13, 62 - 69 (2011)
Comparative study of many-body perturbation theory and time-dependent density functional theory in the out-of-equilibrium Anderson model
A.-M. Uimonen, E. Khosravi, A. Stan, G. Stefanucci, S. Kurth, R. van Leeuwen, E. K. U. Gross
Physical Review B 84, 115103 (2011)
Dielectric screening in two-dimensional insulators: Implications for excitonic and impurity states in graphane
P. Cudazzo, I. V. Tokatly, A. Rubio
Physical Review B 84, 085406 (2011)
Electronic shell structure and chemisorption on gold nanoparticles
Ask Hjorth Larsen, Jesper Kleis, Kristian Sommer Thygesen, Jens Nørskov, Karsten Wedel Jacobsen
Physical Review B 84, 245429 (2011)
Excitons at the (001) surface of anatase: Spatial behavior and optical signatures
G. Giorgi, M. Palummo, L. Chiodo, K. Yamashita,
Physical Review B 84, 073404 (BR) (2011)
Non-linear phenomena in time-dependent density-functional theory: What Rabi physics can teach us
J.I. Fuks, N. Helbig, I.V. Tokatly, A. Rubio
Physical Review B 84, 75107 (2011)