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Presentations by T. Ziegler

    2014

  1. 10 Oct 2014, T. Ziegler, Constricted variational density functional theory. New Developments (invited), 10th Triennial Congress of the World Association of Theoretical and Computational Chemists (WATOC 2014), Santiago, Chile, 5 Oct 2014 - 10 Oct 2014.

  2. 11 Jul 2014, T. Ziegler, Constricted variational density functional theory. A new approach to the study of excited states (invited), 26th Canadian Symposium on Theoretical and Computational Chemistry, Montreal, Canada, 6 Jul 2014 - 11 Jul 2014.

  3. 30 Jun 2014, T. Ziegler, Understanding complex calculations on large molecules in simple chemical terms (invited), 15th International Conference on Theoretical Aspects of Catalysis (ICTAC15), London, United Kingdom, 30 Jun 2014 - 4 Jul 2014.

  4. 26 Mar 2014, T. Ziegler, The Proper Description of Charge Transfer Excitations with DFT (colloquium), Max Planck Institute for Chemical Energy Conversion.

  5. 17 Mar 2014, T. Ziegler, π to π∗ Transitions in Cyanine yes revisited with CV-DFT (colloquium), Karlsruhe Institute of Technology.

  6. 3 Mar 2014, T. Ziegler, New developments in excited state DFT theory (colloquium), University of Erlangen-Nuremberg , Department of Chemistry and Pharmacy.

  7. 20 Feb 2014, T. Ziegler, CV-DFT theory developments (invited), SCM Developer Workshop, Amsterdam, The Netherlands, 17 Feb 2014 - 20 Feb 2014.

  8. 10 Jan 2014, T. Ziegler, A variational derivation of the RPA equation (plenary, invited), CRC-EC Joint International Symposium on Chemical Theory for Complex Systems, Atlanta, United States of America, 9 Jan 2014 - 10 Jan 2014.

    9. 2013

  9. 1 Sep 2013, T. Ziegler and M. Krykunov, Excited state theories based on density functional theory (plenary), Current Trends in Theoretical Chemistry -VI, Krakow, Poland, 1 Sep 2013 - 5 Sep 2013.

  10. 10 Aug 2013, T. Ziegler, Analyzing complex electronic structure calculations on large molecules in simple chemical terms (invited), STCP VI conference, Budapest, Hungary.

  11. 13 Jul 2013, T. Ziegler, Fragment analysis of the chemical bond, Cecam Conference on ab initio Valence Bond Theory, Pris, France, 16 Jul 2012 - 20 Jul 2012.

  12. 2 Jun 2013, T. Ziegler, Relaxed self consistent constricted variational DFT, 7th Conference on Molecular Quantum Mechanics, Lugano, Switzerland, 2 Jun 2013 - 7 Jun 2013.

  13. 26 May 2013, M. Shishkin and T. Ziegler, Coke -tolerant Ni/BaCeO3 anodes:DFT study (contributed), The 96th Canadian Chemistry Conference and Exhibitions, Québec, Quebec, 26 May 2013 - 30 May 2013.

  14. 26 May 2013, M. Shishkin and T. Ziegler, Coke-tolerant Ni/BaCeO3 anodes (invited), The 96th Canadian Chemistry Conference and Exhibitions, Québec, Quebec, 26 May 2013 - 30 May 2013.

  15. 15 Apr 2013, T. Ziegler, Constricted variational density functional theory, Conference on Time Dependant Density Functional Theory, Nantes, France.

  16. 1 Apr 2013, T. Ziegler, New theories based on DFT for excited states (seminar), Department of Chemistry, University of Münster, Münster, Germany.

  17. 1 Mar 2013, T. Ziegler, New theories based on DFT for excited states (seminar), Department of Chemistry, University of Amsterdam, Amsterdam, Netherlands.

    18. 2012

  18. 25 Jun 2012, S. Ndambuki and T. Ziegler, An analysis of the putative Cr-Cr quintuple bond in Ar*CrCrAr*(Ar*=C6H3-2,6(C6H3-2,6-Pri2) 2 based on the combined Natural Orbitals for Chemical Valence and Exhibition Transition State (NOCV-ETS) Method (poster), The 14th ICQC- International Congress of Quantum Chemistry, Boulder, Colorado, 25 Jun 2012 - 30 Jun 2012.

  19. 25 Jun 2012, S. Ndambuki and T. Ziegler, An analysis of unsupported triple and quadruple metal-metal bonds between two homonuclear group 6 transition elements based on the combined natural orbitals for chemical valence and extended transition state method (poster), The 14th ICQC- International Congress of Quantum Chemistry, Boulder, Colorado, 25 Jun 2012 - 30 Jun 2012.

  20. 26 May 2012, T. Ziegler, Analyzing complex electronic structure calculations on large systems from inorganic modelling in simple chemical term (invited), 95th Canadian Chemistry Conference and Exhibition (CSC 2012), Calgary, Alberta, 26 May 2012 - 30 May 2012.

  21. 26 May 2012, S. Ndambuki and T. Ziegler, An analysis of the putative Cr-Cr quintuple bond in Ar*CrCrAr*(Ar*=C6H3-2,6(C6H3-2,6-Pri2) 2 based on the combined Natural Orbitals for Chemical Valence and Exhibition Transition State (NOCV-ETS) Method (poster), 95th Canadian Chemistry Conference and Exhibition (CSC 2012), Calgary, Alberta, 26 May 2012 - 30 May 2012.

  22. 26 May 2012, S. Ndambuki and T. Ziegler, An analysis of unsupported triple and quadruple metal-metal bonds between two homonuclear group 6 transition elements based on the combined natural orbitals for chemical valence and extended transition state method (poster), 95th Canadian Chemistry Conference and Exhibition (CSC 2012), Calgary, Alberta, 26 May 2012 - 30 May 2012.

  23. 26 May 2012, M. Seth and T. Ziegler, Simulation of NMR spectra by DFT (invited), 95th Canadian Chemistry Conference and Exhibition (CSC 2012), Calgary, Alberta, 26 May 2012 - 30 May 2012.

  24. 26 May 2012, T. Ziegler, D. Skachkov and M. Krykunov, A periodic NMR program based on single dipole approach (invited), 95th Canadian Chemistry Conference and Exhibition (CSC 2012), Calgary, Alberta, 26 May 2012 - 30 May 2012.

  25. 12 May 2012, T. Ziegler, Fragments in molecules. A new energy decomposition approach (contributed), Munster, Germany.

  26. 2 May 2012, T. Ziegler, Approaching chemistry from first principle with density functional theory (seminar), University of Bonn , Department of Chemistry .

  27. 2 Apr 2012, T. Ziegler and M. Krykunov, Excited state theories based on density functional theory challenges in density matrix and density functional (keynote), Ghent, Belgium, 2 Apr 2012 - 6 Apr 2012.

  28. 1 Mar 2012, T. Ziegler, Fragment in molecules. A new energy decomposition approach (invited), Marburg, Germany.

  29. 6 Jan 2012, T. Ziegler, Approaching olefin polymerization from first principle (invited), 14th International Union of Pure Applied Chemistry Conference on Polymers and Organic Chemistry (POC 2012) , Qdoha, Qatar, 6 Jan 2012 - 9 Jan 2012.

    30. 2011

  30. 2 Sep 2011, T. Ziegler, M. Krykunov and J. Cullen, New variational approaches to excited states in density functional theory (contributed), 14th International Density Functional Theory Conference (DFT 2011), Athens, Greece, 29 Aug 2011 - 2 Sep 2011.

  31. 18 Jun 2011, T. Ziegler, M. Krykunov and J. Cullen, New variational approaches to excited states in density functional theory. (invited), WATOC conference Santiago de Compostela, Galicia, Spain, 17 Jun 2011 - 22 Jun 2011.

  32. 5 Jun 2011, L. Jose and T. Ziegler, Vibration fine structure in the absorption spectrum of tetrahedral tetrode complexes - A TDDFT study (poster), CSC 2011, Montreal, Quebec, 5 Jun 2012 - 9 Jun 2012.

  33. 22 May 2011, T. Ziegler and M. Shishkin, Electrochemical reactions at the anode-elctrolyte interfaces of the solid oxide fuel cells (SOFC): DFT study (invited), Cecam Research Conference, Magleaas, Denmark, 22 May 2011 - 26 May 2011.

  34. 1 May 2011, M. Shishkin and T. Ziegler, Ab initio study of activate and coke-tolerance of Ni/CeZrO2 anodes of SOFC as a function of zirconia concentration (invited), 12th International Symposium on Solid Oxide Fuel Cells, 219th ECS meeting, Montreal, Quebec, 1 May 2011 - 6 May 2011.

    35. 2010

  35. 15 Dec 2010, T. Ziegler, The description of charge transfer transitions with DFT (invited), Pacific Chem, Honolulu, Hawaii, 15 Dec 2010 - 15 Dec 2010.

  36. 15 Dec 2010, T. Ziegler, Molecules in molecules (invited), Pacific Chem, Honolulu, Hawaii, 15 Dec 2010 - 20 Dec 2010.

  37. 5 Nov 2010, T. Ziegler, The calculation of excited states by DFT (keynote), Twenty-Six Symposium on Physical Chemistry, Waterloo, Ontario, 5 Nov 2010 - 7 Nov 2010. R. D. Miller Lecture Award.

  38. 25 Sep 2010, T. Ziegler, Formulation of a constricted variational density functional theory (invited), The 9th International Conference on Relativistic Quantum Chemistry, Beijing, Chaina, 25 Sep 2010 - 29 Sep 2010.

  39. 25 Jul 2010, H. R. Zhekova, M. Seth and T. Ziegler, A magnetic and electronic circular dichroism study of blue proteins based on time-dependent density functional theory calculation (poster), 17th Canadian Symposium on Theoretical Chemistry, Edmonton, Alberta, 25 Jul 2010 - 30 Jul 2010.

  40. 10 Jun 2010, T. Ziegler and M. Shishkin, Oxidation of the hydrogen fuel at the anode/electrolyte interface of solid oxide fuel cells (keynote), 2end Fuel Colloquium, Ottawa, Ontario, 10 Jun 2010 - 14 Jun 2010.

  41. 29 May 2010, T. Ziegler, Approaching chemistry from first principle with DFT (keynote), The 93rd Canadian Chemistry Conference and Exhibition(CSC 2010), Toronto, Ontario, 29 May 2010 - 2 Jun 2010.


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Last updated September, 2024