Suchergebnisse

Zeitschriftenartikel (10)

1.
Zeitschriftenartikel
Schneider, W. B.; Benedikt, U.; Auer, A. A.: Interaction of platinum nanoparticles with graphitic carbon structures: A computational study. ChemPhysChem 14 (13), S. 2984 - 2989 (2013)
2.
Zeitschriftenartikel
Katsounaros, I.; Schneider, W. B.; Meier, J. C.; Benedikt, U.; Biedermann, P. U.; Cuesta, Á.; Auer, A. A.; Mayrhofer, K. J. J.: The impact of spectator species on the interaction of H2O2 with platinum – implications for the oxygen reduction reaction pathways. Physical Chemistry Chemical Physics 15 (21), S. 8058 - 8068 (2013)
3.
Zeitschriftenartikel
Kettner, M.; Benedikt, U.; Schneider, W.; Auer, A. A.: Computational Study of Pt/Co Core-Shell Nanoparticles: Segregation, Adsorbates and Catalyst Activity. Journal of Physical Chemistry C 116 (29), S. 15432 - 15438 (2012)
4.
Zeitschriftenartikel
Auer, A. A.; Richter, A.; Berezkin, A. V.; Guseva, D. V.; Spange, S.: Theoretical study of twin polymerization – From chemical reactivity to structure formation. Macromolecular Theory Simulations 21 (9), S. 615 - 628 (2012)
5.
Zeitschriftenartikel
Banert, K.; Arnold, R.; Hagedorn, M.; Thoss, P.; Auer, A. A.: 1-Azido-1-Alkynes: Synthesis and Spectroscopic Characterization of Azidoacetylene. Angew. Chem. 124, S. 1 - 5 (2012)
6.
Zeitschriftenartikel
Katsounaros, I.; Schneider, W.; Meier, J. C.; Benedikt, U.; Biedermann, P. U.; Auer, A. A.; Mayrhofer, K. J. J.: Hydrogen peroxide electrochemistry on platinum: Towards understanding the oxygen reduction reaction mechanism. Physical Chemistry and Chemical Physics 14, S. 7384 - 7391 (2012)
7.
Zeitschriftenartikel
Firdous, S.; Banert, K.; Auer, A. A.: Viability of 4,5-Dihydro-1,2,3,4-oxatriazoles Reinvestigated. Chemistry-A European Journal 17 (20), S. 5539 - 5543 (2011)
8.
Zeitschriftenartikel
Wójcik, K.; Rueffer, T.; Lang, H.; Auer, A. A.; Mehring, M.: Novel carbonyl iron-bismuth clusters - Synthesis, structure, CO2 insertion and potential as molecular precursors for BiFeO3. Journal of Organometallic Chemistry 696 (8), S. 1647 - 1651 (2011)
9.
Zeitschriftenartikel
Auer, A. A.; Kästner, J.; Burghardt, I.: Trendberichte Theoretische Chemie 2010 - Tensorzerlegungen. Nachrichten aus der Chemie 59 (3), S. 284 - 286 (2011)
10.
Zeitschriftenartikel
Benedikt, U.; Auer, A. A.; Espig, M.; Hackbusch, W.: Tensor decomposition in post-Hartree-Fock methods. I. Two-electron integrals and MP2. Journal of Chemical Physics 134 (5), 054118, S. 1 - 12 (2011)

Konferenzbeitrag (1)

11.
Konferenzbeitrag
Berezkin, A. V.; Biedermann, P. U.; Auer, A. A.: Mesoscale simulation of network formation and structure, combining molecular dynamics and kinetic Monte Carlo approaches. European Polymer Congress 2011, Granada, Spain, 26. Juni 2011 - 01. Juli 2011. (2011)

Vortrag (8)

12.
Vortrag
Katsounaros, I.; Schneider, W.; Meier, J. C.; Benedikt, U.; Biedermann, P. U.; Auer, A. A.; Mayrhofer, K. J. J.: Electrochemistry of H2O2 on platinum: Towards understadning ORR. Electrochemistry 2012 - Fundamental and Engineering Needs for Sustainable Development (GDCh Meeting), München, Germany (2012)
13.
Vortrag
Katsounaros, I.; Schneider, W.; Meier, J. C.; Benedikt, U.; Biedermann, P. U.; Auer, A. A.; Mayrhofer, K. J. J.: Hydrogen peroxide electrochemistry on platinum: Towards understanding the oxygen reduction reaction mechanism. 63rd Annual Meeting of the International Society of Electrochemistry, Prague, Czech Republic (2012)
14.
Vortrag
Berezkin, A. V.; Biedermann, P. U.; Auer, A. A.: Mesoscale simulation of network formation and structure, combining molecular dynamics and kinetic Monte Carlo approaches. European Polymer Congress 2011, Granada, Spain (2011)
15.
Vortrag
Auer, A. A.: Mathematical Methods in Quantum Chemistry. Workshop - Mathematical Methods in Quantum Chemistry at Mathematisches Forschungsinstitut, Oberwolfach, Germany (2011)
16.
Vortrag
Challenges for Theory in Electrochemistry. Minisymposium "Challenges for Theory in Electrochemistry", MPI für Eisenforschung GmbH, Düsseldorf, Germany (2010)
17.
Vortrag
Berezkin, A. V.; Auer, A. A.; Spange, S.: Mesoscale simulation of interpenetrating networks formation by polymerization of silicon spiro compounds. EUPOC2010 – Hierarchically Structured Polymers, Gargnano, Italy (2010)
18.
Vortrag
Tensor Decomposition in Electronic Structure Theory. 2nd Minsymposium for "Tensor Decomposition in Electronic Structure Theory", MPI für Eisenforschung GmbH, Düsseldorf, Germany (2010)
19.
Vortrag
Perspectives in Quantum chemistry for Electrochemistry. Minisymposium "Perspectives in Quantum chemistry for Electrochemistry", Center for Electrochemical Sciences, Ruhr-Universität Bochum, Germany (2010)

Poster (4)

20.
Poster
Benedikt, U.; Schneider, W.; Auer, A. A.: Oxygen Reduction Reaction on Pt-Nanoparticles: A Density-Functional Based Study. 46th Symposium on Theoretical Chemistry, STC2010, Münster, Germany (2010)
Zur Redakteursansicht