Humboldt-Universität zu Berlin - Mathematisch-Naturwissenschaftliche Fakultät I - Quantenchemie der Festkörper/ Katalyse

2011

333. Storage and Activation of Methane - theAb initio Approach
     Marie Skłodowska-curie Symposium on Foundations of Physical Chemistry, Copernicus Center, Warszawa, Poland, 18. - 19. 11.2011.
      
332. Quantenmechanische Modellierung - Einblicke in die atomaren Details komplexer chemischer Systeme
     Feierliche Einweihung des neuen Hörsaalgebäudes auf dem Campus Heide-Süd, Martin-Luther Universität Halle-Wittenberg, 14.10.2011.
      
331. Atomistic understanding of heterogeneous catalysis - Quantum chemistry in concert with experiment
     XIX Mendeleev Congress, Volgograd, Russia, 25. - 30.09.2011.
      
330. Binding energies of organic molecules on different types of surfaces
     10th Central European Symposium on Theoretical Chemistry, Torun´, Poland, 25. - 28.09.2011.
      
329. Catalytically active metal oxides in different environments. Quantum chemical approach
     ISHHC XV - International Symposium Catalysis, Freie Universität Berlin, 11. - 16.09.2011.
      
328. Occupation of Ce-f states in defective CeO₂ and mixed CeO₂/VO₂ gas phase clusters - DFT compared to experiment
     Ninth Triennial Congress of the World Association of Theoretical and Computational Chemists WATOC, Santiago de Compostela, Spain, 17. - 22.07.2011.
      
327. Defect formation in ceria and its special role as support for selective oxidation catalysts
     "Theoretical Modelling of Materials" WATOC Satellite Meeting, Barcelona, Spain, 13. - 15.07.2011.
      
326. Quantum Chemistry and wave function based methods
     DFT and beyond - Hands-on Tutorial Workshop 2011, Berlin, 12. - 21.07.2011.
      
325. Quantum Chemistry of Oxides: Clusters, Surfaces, Catalysts
     Frontiers in InterfacE Science: Theory and Experiment (FIESTAE) - Wissenschaftliches Geburtstagssymposium Prof. Freund und Prof. Scheffler, Berlin, 29.06. - 01.07.2011.
      
324. Defect formation in ceria and its special role as support for selective oxidation catalysts
     CECAM Workshop "Understanding Structure and Functions of Reducible Oxide Systems - A Challenge for Theory and Experiment", Zaragoza, Spain, 20. - 23.06.2011.
      
323. Ab initio predictions of adsorptions and reactions in metal organic frameworks - successes and limits
     Heraeus-Seminar "Energy Materials by Neutrons and Synchrotron Radiation", Bad Honnef, 08. - 11.05.2011
      
322. The Support effect and the chemical composition and structure space of solid oxide catalysts
     Workshop on Material Design in Chemical Compound Space, Los Angeles, USA, 02. - 06.05.2011
      
321. Aktive Zentren und die Reaktivität von Zeolithkatalysatoren
     GDCh-Vortrag, Technologie- und Gründerzentrum Bitterfeld-Wolfen, 11.04.2011
      
320. The support effect on vanadia catalysts for selective oxidation - DFT compared to experiment
     7^th Brazilian/German Workshop on Applied Science, Búzios - RJ, Brazil, 03. - 08.04.2011
      
319. Hydrocarbon Synthesis and Conversion by Zeolite Catalysts: Accurate Predictions by Quantum Chemistry
     Acid/Base and Zeolite Catalysis, 241st ACS Meeting and Exhibition, Anaheim, USA, 27. - 31.03.2011
      
318. C-H bond activation by different types of metal oxide catalysts
     ACS Award for Creative Invention: Symposium in Honor of Jeffery Bricker, 241st ACS Meeting and Exposition, Anaheim, USA, 27. - 31.03.2011
      
317. C-H Bond Activation by Oxides
     Symposium on Size Selected Clusters S3C, Davos, Switzerland, 20. - 25.03.2011
      
316. Structure and reactivity of metal oxides: gas phase, clusters, thin films, single crystals and supported catalysts
     Joint International Symposium of CRC 546 and the Cluster of Excellence UniCat "Activation of Small Molecules - Gas Phase Clusters, Molecular Catalysts, Enzymes and Solid Materials", Erkner, 20.02. – 23.02.2011
      

2010

315. Structure and Reactivity of Oxides: Comparison of nanoclusters and bulk materials
     First German-Russian symposium on nanomaterials - New horizons, Moskau, Russia, 01.11. – 03.11.2010
      
314. Understanding the Reactivity of Zeolite Catalysts - Quantum Chemistry and Experiments in Concert
     The Lawrence J. Schaad Lectureship in Theoretical Chemistry, Vanderbilt University, Nashville, USA, 23.09.2010
      
313. Ab initio prediction of hydrogen storage in microporous materials
     XII Brijuni Conference "Sustainable energy sources", Brijuni Island, Croatia, 30.08. – 03.09.2010
      
312. Li/MgO as Catalyst for Oxidation Coupling of Methane - What Makes It Work?
     UniCat-NU Annual Scientific Meeting, Northwestern University, Evanston, USA, 19.08. – 20.08.2010
      
311. Zeolites and metal-organic frameworks: Quantum chemical studies on adsorption and catalysis
     GDCh-Kolloquium, Stuttgart,15.07.2010
      
310. Chemical accuracy for the adsorption and reaction of organic molecules on oxide surfaces ?
     13th International Conference on Theoretical Aspects of Catalysis, Matsushima Ichinobo Hotel, Japan, 21. – 25.06.2010
      
309. C-H bond activitation by metal oxide catalysts: energy of hydrogenation as reactivity parameter
     Irsee V– Symposium on New Insights into Selective Heterogeneous Oxidation Catalysis, Irsee, 10.– 13.06.2010
      
308. Quantenmechanische Modellierung - Einblicke in die atomaren Details chemischer Systeme
     IV. Alumni- und Graduiertentag der Fachgruppe Chemie 2010, Universität Bayreuth, 04.06.2010
      
307. Ab initio prediction of isotherms for adsorption of small molecules in MOF and related materials
     CECAM Workshop "Gas separation and gas storage using porous materials", Lausanne, 17. – 19.05.2010
      
306. MP2 results for the adsorption and reaction of organic molecules on oxide surfaces
     Conference "First Principles Quantum Chemistry 2010", Bad Herrenalb 14.–17.04.2010.
      
305. Structure and reactivity of oxids - quantum mechanics and experiments in concert
     Conference "Experiments and Modelling in the Science of Polar Materials", Mansfield College, Oxford 12.–14.04.2010.
      
304. Towards chemical accuracy for energy profiles in heterogeneous catalysis
     Symposium "High-level quantum chemistry meets in Lodz", TU Lodz, 30.03.2010.
      
303. Interaction of hydrocarbons with and activation of C-H bonds on oxide surfaces
     239th American Chemical Society National Meeting & Exhibition, San Francisco, 21.03.2010.
      
302. C-H activation by (transition) metal oxides
     Second Russian-German Seminar on Catalysis, Kloster Seeon, 15.03.2010.
      
301. Selective oxidation of C-H bonds by vanadium oxides-clusters in the gas phase and supported on SiO₂ and CeO₂
     International Symposium on Theoretical and Computational Chemistry, MPI für Kohlenforschung Mühlheim, 02.03.2010.
      
300. Adsorption of H₂ and CH₄: computational and experimental data
     NIS Kolloquium "MOFs: recent results and perspectives", Turin, 11.02.2010.
      
299. Untersuchung der Struktur und Reaktivität fester Katalysatoren mit quantenchemischen Methoden
     Kolloquium Universität Bremen, 04.02.2010.

2009

298. C-H Activation by Transition Metal Oxides - from Gas Phase Clusters to Supported Catalysts
     Computational Chemistry Symposium, Lise Meitner and Fritz Haber Minerva Centers, Hebrew University Jerusalem, Jerusalem/Israel, 10.12.2009.

297. Hybrid MP2:DFT Calculations for Binding and Reaction Steps in Catalysis
     International Schulich Mini-Symposium "Frontiers in Computational Chemistry. Bridging Chemistry and Biology", Technion Israel Institute of Technology, Haifa/Israel, 08.12.2009.

296. Struktur und Reaktivität von Übergangsmetalloxiden: Von Gasphasenclustern zu Festkörperkatalysatoren
     GDCh-Kolloquium, Hannover, 26.11.2009.

295. Transition Metal Oxides - from Gas Phase Clusters to Supported Catalysts
     GDCh- Kolloquium, Ulm, 05.11.2009.

294. C-H Activation by Transition Metal Oxides - from Gas Phase Clusters to Supported Catalysts
     GDCh-Kolloquium, Erlangen, 29.10.2009.

293. Quantenchemische Untersuchungen zur Struktur und Reaktivität von Zeolith-katalysa-toren und Metall-Organischen Gerüstverbindungen (MOF)
     GDCh-Kolloquium, Hamburg, 22.10.2009.

292. Quantenmechanische Modellierung - Einblicke in die atomaren Details chemischer Systeme
     Hauptvortrag bei der Jahresversammlung 2009 der Leopoldina, Computer-modelle in der Wissenschaft - zwischen Analyse, Vorhersage und Suggestion, Halle (Saale), 02. – 04.10.2009.

291. Adsorption and Reaction Steps in Nano-Porous Systems - Accurate Prediction by Quantum Chemistry and Molecular Statistics
     3^rd International Symposium on Advanced Micro- and Mesoporous Materials, Albena Resort Varna/Bulgarien, 06. – 07.09.2009.

290. Heterogeneous Catalysis Studien by Hybrid QM:QM and QM:MM Methods
     13^th International Congress of Quantum Chemistry, Invited Lecture, Helsinki/Finnland, 22. – 25.06.2009.

289. Adsorption and Reaction Steps in Nanoporous Systems - Accurate Prediction by Quantum Chemistry and Molecular Statistics
     Keynote Lecture, 21^st North American Catalysis Society Meeting, San Francisco/USA, 07.06. – 09.06.2009.

288. Adsorption and Reaction Steps in Nanoporous Systems - Accurate Prediction by Quantum Chemistry and Molecular Statistics
     Catalysis from First Principles, Wien/Österreich, 25. – 28.05.2009.

287. Hybrid MP2:DFT and DFT+Dispersion Calculations for Molecules-Surface Interactions
     Kolos-Award-Lecture, Universität Warschau/Polen, 19.05.2009.

286. Oxides as Catalysts - from Gas Phase Clusters to Solid Materials
     Kolos-Award-Lecture, Universität Warschau/Polen, 18.05.2009.

285. Quantenchemische Untersuchungen zur Struktur und Reaktivität von Zeolith-katalysa-toren und Metall-Organischen Gerüstverbindungen (MOF)
     GDCh-Kolloquium, Köln, 12.05.2009.

284. Ab Initio Prediction of Isotherms for Adsorption of Small Molecules in Metal Organic Frameworks
     Invited Speaker, BASF Ludwigshafen, 06.05.2009.

283. Structure and Reactivity of Metal Oxide Clusters in the Gas Phase - Models for Catalyst
     Institutskolloquium, Max-Planck-Institut für Quantenoptik, Garching, 05.05.2009.

282. Adsorption and Reaction Steps in Nanoporous Systems: Accurate Predictions by Quantum Chemistry and Molecular Statistics
     Seminar Theory in Catalysis, ENS Lyon/Frankreich, 27.04.2009.

281. Computational Studies on Metal Oxides Compared to Experiment: Surfaces, Thin Films, Interfaces
     Laboratoire de Physico-Chimie des Surfaces CNRS-ENSCP, École Nationale Supérieure de Chimie de Paris/Frankreich, 06.04.2009.

280. Structure and Reactivity of Supported Transition Metal Oxides
     Laboratoire de Reactivite de Surface, Univ. Pierre & Marie Curie Paris/Frankreich, 16.03.2009.

279. Quantum Mechanical Studies on Transition Metal Oxides - from Gas Phase Clusters to Solid Catalysts
     Laboratoire de Chimie Theorique, Univ. Pierre & Marie Curie Paris/Frankreich, 11.03.2009.

278. Molecule Surface Interactions I and II
     Workshop on Theoretical Chemistry, Mariapfarr/Österreich, 16. – 20.02.2009.

277. Structure and Reactivity of Oxides: Gas Phase Species, Surfaces, thin Films, Supported Catalysts
     International Workshop on Computation in Catalysis, Catalysis Research Center TU München, München, 07. – 09.01.2009.

2008

276. Structure and Reactivity of Transition Metal Oxides: From Gas Phase Clusters to Solid Catalysts
     James-Franck Symposium 2008, Jerusalem/Israel, 17.11.2008.

275. Atomistic Simulations with Quantum Chemistry at the Nano-Scale: Adsorption and Catalytic Reactions in Nanoporous Systems
     1^st NanoThailand Symposium 2008, Bangkok/Thailand, 6.11. – 8.11.2008

274. Metal Oxides: Surfaces, Thin Films, Interfaces
     IBM Forum Zürich - Research, Industry Solutions Lab (ISL), Zürich/Schweiz, 30. – 31.10.2008.

273. What did I learn from Rudolf Zahradnik? – Three short stories
     Symposium zu Ehren von Rudolf Zahradnik, Prag/Tschechien, 17.10. – 19.10.2008

272. Thin Films and Surfaces of Metal Oxides as Supports for Catalytically Active Species: Merits and Limits of DFT
     COST-D41 Meeting, Barcelona/Spanien, 16.10. – 17.10.2008.

271. A Theoretical Perspective on TMI Coordination and Catalysis
     Symposium in honour of Prof. R. Schoonheydt, Katholieke Universiteit Leuven/Belgien, 30.09. – 01.10.2008.

270. Accurate Energies of Transition State Structures and Intermediates by Hybrid MP2:DFT and DFT+Disp Calculations
     Invited Lecture, WATOC 2008, Sydney/Australien, 14.09. – 19.09.2008.

269. Structure and Reactivity of Metal Oxides: Gas Phase Clusters Compared to Solid Catalysts
     Latsis Symposium "Intramolecular Dynamics, Symmetry and Spectroscopy", ETH Zürich, Zürich/Schweiz, 06.09. – 10.09.2008.

268. Structure and Reactivity of thin Oxide Films on Metal Substrates
     Workshop „Surface and Interfaces Processes at the Molecular Level“, Lucca/Italien, 17.08. – 23.08.2008.

267. Quantum Mechanical Studies on Transition Metal Oxide and Zeolite Catalysts
     Current Trends in Theoretical Chemistry V, Jagiellonian University, Kraków/Polen, 06.07. – 10.07.2008.

266. Heterogene Katalyse und aktive Zentren - quantenchemische Beiträge
     Mathematisch-naturwissenschaftliche Klasse der Berlin-Brandenburgischen Akademie der Wissenschaften, 04.07.2008.

265. Hydrocarbon Reactions in Zeolites by Hybrid QM/QM and QM/MM Methods
     Modeling and Design of Molecular Materials 2008, Wroclaw University of Technology, Piechowice/Polen, 23.06. – 28.06.2008.

264. Structure and Reactivity of Oxides: Gas Phase Species, Surfaces, Thin Films, Supported Catalysts
     5^th UC Symposium on Surface Science and its Applications, California NanoSystems Institute, University of California, Santa Barbara/USA, 18.06. – 20.06.2008.

263. Structure and Reactivity of Supported Transition Metal Oxides
     Plenary Lecture, IDECAT Conference "Concepts, Complexity and Diversity in Catalysis", Porquerolles/Frankreich, 31.05. – 5.06.2008.

262. Accurate Energetics of Transition Structures and Intermediates by Hybrid MP2:DFT and DFT+Disp Calculations
     CECAM Workshop "Accurate Energetics of Condensed Matter with Quantum Chemistry", Lyon/Frankreich, 26.05. – 29.05.2008.

261. Structure and Reactivity of Oxide Clusters and Thin Films in Comparison to Solid Catalysts
     Seminar at School of EPS - Chemistry, Heriot- Watt University, Edinburgh/GB, 14.05. – 15.05.2008.

260. Structure and Reactivity of Vanadium Oxides: Gas Phase Species, Nanoclusters, Supported Catalysts
     Plenary Lecture, 6^Th International Symposium on Group Five Elements, Poznan/PL, 07.05. – 10.05.2008.

259. Mixed Quantum/Classical Approaches to Chemically Active Nanoporous Systems
     Fortschrittsbericht auf der 107. Hauptversammlung der Deutschen Bunsen-Gesellschaft für Physikal. Chemie, Saarbrücken, 01.05. – 03.05.2008.

258. Elementary Steps of Hydrocarbon Reactions in Acidic Zeolites: Progress with Quantum Chemical Modelling
     Symposium Zeolite Catalysis for Green Chemistry in Synthesis of Chemicals and Fuels: 235^th ACS National Meeting, New Orleans/USA, 06. – 08.04.2008.

257. Activation of C-H Bonds by Solid Transition Metal Oxide Catalysts
     George A. Olah Award in Hydrocarbon or Petroleum Chemistry: Symposium in Honour of Israel Wachs, 235^th ACS National Meeting, New Orleans/USA, 06. – 08.04.2008.

256. Catalytic Synthesis and Conversion of Hydrocarbons - Ab initio Studies of Elementary Steps
     UCSB-MPG Workshop, Lake Arrowhead/USA, 20.02.2008.

255. Elementary Steps of Hydrocarbon Reactions in Zeolites - Progress with Quantum Chemical Modelling
     Seminar an der University of Southern California, Chemistry Department, Los Angeles/USA, 19.02.2008.

254. C-H-Aktivierung durch Metalloxide: Gasphasenspezies, Nanocluster, feste Katalysatoren
     GdCh-Kolloquium, Ortsverband Unterfranken, Universität Würzburg, 17.01.2008.

2007

253. Zeolite Modelling: Active Sites in Different Framework Structures and in Different Crystallographic Positions Catalysts
     A Symposium to celebrate the 75^th birthday of Sir John Meurig Thomas, Fitz-William-College, Cambridge/GB, 14. – 15.12.2007.

252. Structure and Reactivity of Oxides and Silicates at the Atomic Level - Quantum Chemical Hybrid Approach
     NANOCEM workshop, Berlin, 4. – 5.12.2007.

251. Insight into the Mechanism of C-H Bond Activation by Vanadium Oxide Catalysts from DFT Calculations Compared to Experiments
     "From Clusters to Catalysts – Transition Metals and Transition Metal Oxides", Symposium des SFB 546, Erkner, 28. – 31.10.2007.

250. Treating Dispersion Effects in Extended Systems by Hybrid MP2:DFT Calculations: Hydrocarbons on Catalyst Surfaces
     Indo-German Conference "Modelling Chemical and Biological (Re)activity", Hyderabad/Indien, 26. – 29.09.2007.

249. Structure and Reactivity of Oxide Catalysts
     43. Symposium für Theoretische Chemie, Saarbrücken, 16. – 20.09.2007.

248. Structure and Reactivity of Oxide Clusters and Thin Films in Comparison to Solid Catalysts
     Symposium on Advanced Methods of Quantum Chemistry and Physics (SAMQCP), Torun/Polen, 02. – 06.09.2007.

247. Treating Dispersion Effects in Extended Systems by Hybrid MP2:DFT Calculations: Organic Substrates on Catalyst Surfaces
     12. International Conference on the Applications of Density Functional Theory (DFT), Amsterdam/Niederlande, 26. – 30.08.2007.

246. Zeolite Modelling - Active Sites in Nanoporous Environment
     Conference "Advances in the Chemistry and Physics of Complex Materials", University College London, London, 25. – 27.06.2007.

245. Insight into the Mechanism of C-H Bond Activation by Vanaium Oxide Catalysts from DFT Calculations Compared to Experiments
     4. Irsee-Symposium "Selective Oxidation Catalysis", Irsee, 07. – 10.06.2007.

244. Structure and Reactivity of Oxide Clusters and Thin Films in Comparison to Solid Catalysts
     Kolloquium der Physikalischen Chemie, ETH Zürich, Zürich/Schweiz, 22.05.2007.

243. C-H-Aktivierung durch Übergangsmetalloxide: Gasphasenspezies, Nanocluster, feste Katalysatoren
     GDCh-Kolloquium, Ortsverband Bielefeld, 03.05.2007.

242. Structure and Reactivity of Solid Catalysts - Quantum Chemical Approach
     Cardiff Easter Conference, Cardiff/GB, 02./03.04.2007.

241. Structure and Reactivity of Transition Metal Oxides: From Gas Phase Clusters to Solid Catalysts
     Symposium on Size Selected Clusters, Brand/Österreich, 12. – 16.03.2007.

240. Structure and Reactivity of Oxide Catalysts at the Nanoscale - Quantum Chemical Approach
     Thomas Young Centre, University College London, London/GB, 02.02.2007.

2006

239. Structure and Reactivity of Solid Catalysts - Quantum Chemical Approach
     National Nanotechnology Center (NANOTEC), Bangkok/Thailand, 20.11.2006.

238. Hybrid QM/MM and QM/QM Calculations on Zeolite and Supported Oxide Catalysts
     1. Innovative Modeling Technology Consortium Meeting and Seminar, Scienomics, Paris/Frankreich, 06. – 07.11.2006.

237. Structure and Reactivity of Metal Oxides: Small Gas Phase Species, Nanoclusters, Solid Catalysts
     International Conference of Computational Methods in Sciences and Engineering (ICCMSE), Chania (Kreta)/Griechenland, 27.10. – 01.11.2006.

236. Treating Dispersion Effects in Extended Systems by Hybrid MP2: DFT Calculations: Hydrocarbons on Catalyst Surfaces
     Central European Symposium on Theoretical Chemistry (CESTC), Zakopane/Polen, 24. – 27.09.2006.

235. Treating Dispersion Effects in Extended Systems by Hybrid MP2:DFT Calculations: Hydrocarbons on Catalyst Surfaces
     Workshop "Modelling and Design of Molecular Materials", University of Technology, Wroclaw/Polen, 10. – 15.09.2006.

234. Treating Dispersion Effects in Extended Systems by Hybrid MP2:DFT Calculations: Protonation of Hydrocarbons in Zeolites
     Workshop "Catalysis from First Principles", Lyon, 11. – 14.09.2006.

233. Structure and Reactivity of Solid Catalysts - Quantum Chemical Approach
     5^th Tokyo Conference on Advanced Catalytic Science & Technology (TOCAT5), Tokio/Japan, 23. – 28.07.2006.

232. Treating Dispersion Effects in Extended Systems by Hybrid MP2:DFT Calculations: Protonation of Hydrocarbons in Zeolites
     3^rd Humboldt Conference on Computational Chemistry, Varna/Bulgarien, 24. – 28.06.2006.

231. Structure and Reactivity of Metal Oxides: Small Gas Phase Species, Nanoclusters, Solid Catalysts
     GDCh-Kolloquium, Ortsverband Oldenburg, 22.06.2006.

230. Oxides of Different Shape and Size: Clusters, Thin Films, Solid Catalysts
     Inauguration Workshop of MPG-CAS Partner Group "First-Principles Theory of High-Pressure Oxidation Catalysis", Dalian/China, 01. – 03.06.2006.

229. Structure and Reactivity of Supported Transition Metal Oxide Catalysts – Quantum Chemical Contributions
     University College London, 23.05.2006.

228. Structure and Reactivity of Transition Metal Oxides: From Small Gas Phase Species to Nanoclusters and Solid Catalysts
     Satellite Symposium of ICQC2006 "Large Molecular Systems", Institute for Molecular Science (IMS), Okazaki/Japan, 18. – 19.05.2006.

227. C-H-Aktivierung durch Übergangsmetalloxide: Gasphasenspezies, Nanocluster, feste Katalysatoren
     GDCh-Kolloquium, Ortsverband Chemnitz, 27.04.2006.

226. Structure and Reactivity of Transition Metal Oxides: From Gas Phase Clusters to Solid Catalysts
     Seminar der Abteilung Molekülphysik, Fritz-Haber-Institut der MPG, Berlin-Dahlem, 31.03.2006.

225. Structure and Reactivity of Solid Catalysts - Quantum Chemical Contributions
     Netherlands’ Catalysis and Chemistry Conference (NCCC-VII), Noordwijkerhout/NL, 06. – 08.03.2006.

224. Structure and Reactivity of Transition-Metal Oxides: From Small Gas Phase Species to Nanoclusters and Solid Catalysts
     2^nd Århus Winter Meeting "Modern Trends in Chemistry", Århus/Dänemark, 20.01.2006.

223. Structure and Reactivity of Transition-Metal Oxides: From Small Gas Phase Species to Nanoclusters and Solid Catalysts
     Universität Uppsala, Institut für Materialchemie, Uppsala/Schweden, 19.01.2006.

2005

222. Hydrogen Bonds and Proton Transfer in Solid Catalysts and in Gas Phase Clusters
     Graduiertenkolleg 788 "Wasserstoffbrücken und Wasserstofftransfer", FU Berlin, 09.11.2005.

221. Quantenchemische Untersuchungen zur katalytischen Funktion fester Säuren
     GDCh – Ortsverband Braunschweig, 31.10.2005.

220. Computersimulation mit Ab initio-Methoden: Gasphasenspezies, Nanocluster, feste Katalysatoren
     Symposium der Dt. Bunsengesellschaft bei GDCH-Jahrestagung, Düsseldorf, 11. – 14.09.2005.

219. Supported Thin Films and Clusters of Transition Metal Oxides - DFT Calculations on Structure and Reactivity
     Workshop der Abt. Chemische Physik des Fritz-Haber-Institutes der MPG "Nanoparticles an Oxide Surfaces", Ringberg, 04. – 09.09.2005.

218. Protonated Water Clusters in Different Crystalline Environments Compared to the Gas Phase: Quantum Chemical Studies of Structures and Vibrational Spectra
     XVI^th Conference on Horizons in Hydrogen Bond Research, Roskilde/Dänemark, 30.08. – 04.09.2005.

217. Structure and Reactivity of Transition Metal Oxides: From Small Gas Phase Species to Nanoclusters and Solid Catalysts
     SFB 569 "Hierarchische Strukturbildung und Funktion Organisch-Anorganischer Nanosysteme", Universität Ulm, 21.06.2005.

216. Oxygen Vacancies in Vanadium Oxide Catalysts: Bulk Materials, Thin Films, Clusters
     Symposium "Selective Oxidation Catalysis", Irsee, 10./11.06.2005.

215. Die Schicksale des Atoms - von Ostwald zur modernen Quantenchemie
     Wilhelm-Ostwald-Gesellschaft, Großbothen, 04.06.2005.

214. Structure and Reactivity of Transition-Metal Oxides: From Small Gas Phase Species to Nanoclusters and Solid Catalysts
     Scientific Symposia "Science and Art in Europe": Catalysis: Nanotechnology with a Past, Fritz-Haber-Institut der MPG, Berlin, 22. – 24.05.2005.

213. Computational Studies of Hydrocarbon Reactions in Zeolites: Transition State Shape Selectivity
     Workshop "The Active Site: From Catalyst to Reactor", KU Leuven, Brüssel/Belgien, 19./20.05.2005.

212. Übergangsmetalloxide: Gasphasencluster als Modelle für feste Katalysatoren
     GDCh – Ortsverband Kiel, 12.05.2005.

211. Computational Chemistry: Struktur und Reaktivität fester Katalysatoren
     Kolloquium "Computational Chemistry", Rechenzentrum Universität Düsseldorf, 28.04.2005.

210. Structure and Reactivity of Transition-Metal Oxides: From Small Gas Phase Species to Nanoclusters and Solid Catalysts
     International Karlsruhe Nanoscience Workshop "Computational Tools for Molecules, Clusters and Nanostructures" in Honour of Reinhart Ahlrichs, Forschungszentrum Karlsruhe, 23. – 26.01.2005.

209. Oxidative Dehydrogenation of Propane and Methanol on Vanadium Oxide Based Catalysts
     7^th World Congress of the World Association of Theoretically Oriented Chemists (WATOC-05) "Modelling Structure and Reactivity", Kapstadt/Südafrika, 16. – 21.01.2005.

208. Supported Vanadium Oxides: Clusters, Films and Bulk Surfaces
     4^th International Workshop on Oxide Surfaces (IWOX-4), Universität Turin/Italien und Centre Paul Langevin, Aussois/Frankreich, 04.– 08.01.2005.