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Talk (4776)

8341.
Talk
Biedermann, P. U.: Theoretical Investigation of the Electrochemical Oxygen Reduction Mechanism. Minisymposium "Perspectives in Quantum chemistry for Electrochemistry", Ruhr-Universität Bochum, Germany (2010)
8342.
Talk
Neugebauer, J.: Understanding hydrogen embrittlement of metals based on quantum mechanical simulation. Hydrogen Forum 2010, Fukuoka, Japan (2010)
8343.
Talk
Rohwerder, M.: Geplante Forschung zu Batterien im Rahmen des Zentrums für Elektrochemie (CES) und des Kompetenzverbundes Nord. Batterietag Münster, Münster, Germany (2010)
8344.
Talk
Abbasi, A.; Dick, A.; Hickel, T.; Neugebauer, J.: First principles calculations of the stacking fault energies for Mn and Fe. Computational Materials Science on Complex Energy Landscapes Workshop, Imst, Austria (2010)
8345.
Talk
Abu-Farsakh, H.; Neugebauer, J.: Exploring the unusual diffusion of N adatoms at GaAs(001) surface. Computational Materials Science on Complex Energy Landscapes Workshop, Imst, Austria (2010)
8346.
Talk
Aydin, U.; Ismer, L.; Hickel, T.; Neugebauer, J.: Chemical trends for the solution enthalpy of hydrogen in 3d transition metals. Computational Materials Science on Complex Energy Landscapes Workshop, Imst, Austria (2010)
8347.
Talk
Dick, A.; Hickel, T.; Neugebauer, J.: Stacking fault properties in high-Mn steels: An ab initio study. Computational Materials Science on Complex Energy Landscapes Workshop, Imst, Austria (2010)
8348.
Talk
Freysoldt, C.: PAW implementation in S/PHI/nX. Computational Materials Science on Complex Energy Landscapes Workshop, Imst, Austria (2010)
8349.
Talk
Körmann, F.; Dick, A.; Grabowski, B.; Hickel, T.; Neugebauer, J.: Ab initio determination of the magnetic free energy contribution of metallic systems. Computational Materials Science on Complex Energy Landscapes Workshop, Imst, Austria (2010)
8350.
Talk
Lange, B.; Freysoldt, C.; Neugebauer, J.: Fully numerical orbitals as an analyzable Tight Binding Basis Set. Computational Materials Science on Complex Energy Landscapes Workshop, Imst, Austria (2010)
8351.
Talk
Liot, F.; Friák, M.; Hickel, T.; Neugebauer, J.: Spin-polarization-induced structural selectivity in substituted Laves phases. Workshop, Imst, Austria (2010)
8352.
Talk
Lymperakis, L.; Neugebauer, J.: Ab-initio based growth simulations of III-Nitride nanowires. Computational Materials Science on Complex Energy Landscapes Workshop, Imst, Austria (2010)
8353.
Talk
Marquardt, O.; Hickel, T.; Neugebauer, J.: Polarization-induced charge carrier separation in realistic polar and nonpolar GaN quantum dots. Computational Materials Science on Complex Energy Landscapes Workshop, Imst, Austria (2010)
8354.
Talk
Mitra, C.; Freysoldt, C.; Neugebauer, J.: Band alignment in the framework of GW theory. Computational Materials Science on Complex Energy Landscapes Workshop, Imst, Austria (2010)
8355.
Talk
Pfanner, G.; Freysoldt, C.; Neugebauer, J.: Ab initio investigations of the silicon dangling bond. Computational Materials Science on Complex Energy Landscapes Workshop, Imst, Austria (2010)
8356.
Talk
Rayson, M. J.: Progress in techniques for large-scale ab initio calculations. Computational Materials Science on Complex Energy Landscapes Workshop, Imst, Austria (2010)
8357.
Talk
Tillack, N.; Hickel, T.; Raabe, D.; Neugebauer, J.: Kinetic Monte Carlo simulations and ab initio studies of nano-precipitation in ferritic steels. Computational Materials Science on Complex Energy Landscapes Workshop, Imst, Austria (2010)
8358.
Talk
Todorova, M.; Neugebauer, J.: Stabilization of polar ZnO surfaces. Computational Materials Science on Complex Energy Landscapes Workshop, Imst, Austria (2010)
8359.
Talk
Udyansky, A.; von Pezold, J.; Friák, M.; Neugebauer, J.: Computational study of interstitial ordering in bcc iron. Computational Materials Science on Complex Energy Landscapes Workshop, Imst, Austria (2010)
8360.
Talk
von Pezold, J.; Aydin, U.; Neugebauer, J.: Strain-induced metal-hydrogen interactions across the first transition series - An ab initio study of hydrogen embrittlement. Computational Materials Science on Complex Energy Landscapes Workshop, Imst, Austria (2010)
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