Talk (258)
361.
Talk
Perspectives in Quantum chemistry for Electrochemistry. Minisymposium "Perspectives in Quantum chemistry for Electrochemistry", Center for Electrochemical Sciences, Ruhr-Universität Bochum, Germany (2010)
362.
Talk
Theoretical Investigation of the Electrochemical Oxygen Reduction Mechanism. Minisymposium "Perspectives in Quantum chemistry for Electrochemistry", Ruhr-Universität Bochum, Germany (2010)
363.
Talk
Understanding hydrogen embrittlement of metals based on quantum mechanical simulation. Hydrogen Forum 2010, Fukuoka, Japan (2010)
364.
Talk
Geplante Forschung zu Batterien im Rahmen des Zentrums für Elektrochemie (CES) und des Kompetenzverbundes Nord. Batterietag Münster, Münster, Germany (2010)
365.
Talk
First principles calculations of the stacking fault energies for Mn and Fe. Computational Materials Science on Complex Energy Landscapes Workshop, Imst, Austria (2010)
366.
Talk
Exploring the unusual diffusion of N adatoms at GaAs(001) surface. Computational Materials Science on Complex Energy Landscapes Workshop, Imst, Austria (2010)
367.
Talk
Chemical trends for the solution enthalpy of hydrogen in 3d transition metals. Computational Materials Science on Complex Energy Landscapes Workshop, Imst, Austria (2010)
368.
Talk
Stacking fault properties in high-Mn steels: An ab initio study. Computational Materials Science on Complex Energy Landscapes Workshop, Imst, Austria (2010)
369.
Talk
PAW implementation in S/PHI/nX. Computational Materials Science on Complex Energy Landscapes Workshop, Imst, Austria (2010)
370.
Talk
Ab initio determination of the magnetic free energy contribution of metallic systems. Computational Materials Science on Complex Energy Landscapes Workshop, Imst, Austria (2010)
371.
Talk
Fully numerical orbitals as an analyzable Tight Binding Basis Set. Computational Materials Science on Complex Energy Landscapes Workshop, Imst, Austria (2010)
372.
Talk
Spin-polarization-induced structural selectivity in substituted Laves phases. Workshop, Imst, Austria (2010)
373.
Talk
Ab-initio based growth simulations of III-Nitride nanowires. Computational Materials Science on Complex Energy Landscapes Workshop, Imst, Austria (2010)
374.
Talk
Polarization-induced charge carrier separation in realistic polar and nonpolar GaN quantum dots. Computational Materials Science on Complex Energy Landscapes Workshop, Imst, Austria (2010)
375.
Talk
Band alignment in the framework of GW theory. Computational Materials Science on Complex Energy Landscapes Workshop, Imst, Austria (2010)
376.
Talk
Ab initio investigations of the silicon dangling bond. Computational Materials Science on Complex Energy Landscapes Workshop, Imst, Austria (2010)
377.
Talk
Progress in techniques for large-scale ab initio calculations. Computational Materials Science on Complex Energy Landscapes Workshop, Imst, Austria (2010)
378.
Talk
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)
379.
Talk
Stabilization of polar ZnO surfaces. Computational Materials Science on Complex Energy Landscapes Workshop, Imst, Austria (2010)
380.
Talk
Computational study of interstitial ordering in bcc iron. Computational Materials Science on Complex Energy Landscapes Workshop, Imst, Austria (2010)