Publications of Alexander Adalbert Auer

Schneider, W. B.; Benedikt, U.; Auer, A. A.: Interaction of platinum nanoparticles with graphitic carbon structures: A computational study. ChemPhysChem 14 (13), pp. 2984 - 2989 (2013)

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), pp. 8058 - 8068 (2013)

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), pp. 15432 - 15438 (2012)

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), pp. 615 - 628 (2012)

Banert, K.; Arnold, R.; Hagedorn, M.; Thoss, P.; Auer, A. A.: 1-Azido-1-Alkynes: Synthesis and Spectroscopic Characterization of Azidoacetylene. Angew. Chem. 124, pp. 1 - 5 (2012)

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, pp. 7384 - 7391 (2012)

Firdous, S.; Banert, K.; Auer, A. A.: Viability of 4,5-Dihydro-1,2,3,4-oxatriazoles Reinvestigated. Chemistry-A European Journal 17 (20), pp. 5539 - 5543 (2011)

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), pp. 1647 - 1651 (2011)

Auer, A. A.; Kästner, J.; Burghardt, I.: Trendberichte Theoretische Chemie 2010 - Tensorzerlegungen. Nachrichten aus der Chemie 59 (3), pp. 284 - 286 (2011)

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, pp. 1 - 12 (2011)

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, June 26, 2011 - July 01, 2011. (2011)

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)

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)

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)

Auer, A. A.: Mathematical Methods in Quantum Chemistry. Workshop - Mathematical Methods in Quantum Chemistry at Mathematisches Forschungsinstitut, Oberwolfach, Germany (2011)

Challenges for Theory in Electrochemistry. Minisymposium "Challenges for Theory in Electrochemistry", MPI für Eisenforschung GmbH, Düsseldorf, Germany (2010)

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)

Tensor Decomposition in Electronic Structure Theory. 2nd Minsymposium for "Tensor Decomposition in Electronic Structure Theory", MPI für Eisenforschung GmbH, Düsseldorf, Germany (2010)

Perspectives in Quantum chemistry for Electrochemistry. Minisymposium "Perspectives in Quantum chemistry for Electrochemistry", Center for Electrochemical Sciences, Ruhr-Universität Bochum, Germany (2010)

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)