Dr. Tatyana Shubina

Profile

Academic positionPost Doc
Research fieldsTheoretical Chemistry: Electron Structure, Dynamics, Simulation,Inorganic Molecular Chemistry,Organic Molecular Chemistry
KeywordsMetalloporphyrines, ab initio, adsorption, metal surface, reaction mechanism

Current contact address

CountryUkraine
CityKiev

Host during sponsorship

Prof. Dr. Tim ClarkComputer-Chemie-Centrum, Friedrich-Alexander-Universität Erlangen-Nürnberg, Erlangen
Prof. Dr. Dr. h.c. Hans-Peter SteinrückInstitut für Physikalische und Theoretische Chemie, Friedrich-Alexander-Universität Erlangen-Nürnberg, Erlangen
Start of initial sponsorship01/05/2005

Programme(s)

2004Humboldt Research Fellowship Programme

Publications (partial selection)

2010Tatyana Shubina: COMPUTATIONAL STUDIES ON PROPERTIES, FORMATION, AND COMPLEXATION OF M(II)-PORPHYRINS. In: Rudi van Eldik, Adv. Inorg. Chem: THEORETICAL AND COMPUTATIONAL INORGANIC CHEMISTRY VOLUME 62. Elsevier, 2010. 261-300
2010Tatyana E. Shubina, Timothy Clark Catalysis of the Quadricyclane to Norbornadiene Rearrangement by SnCl2 and CuSO4. In: Z. Naturforsch., 2010, 347-356
2007T. E. Shubina, H. Marbach, K. Flechtner, A. Kretschmann, N. Jux, F. Buchner, H.-P. Steinrück, T. Clark, and J. M. Gottfried: Principle and Mechanism of Direct Porphyrin Metalation: Joint Experimental and Theoretical Investigation. In: Journal of the American Chemical Society, 2007, 9476-9483
2006Federico Roncaroli, Tatyana Shubina, Timothy Clark, Rudi van Eldik: Nitrite impurities are responsible for the reaction observed between vitamin B12 and nitric oxide in acidic aqueous medium. In: Inorganic Chemistry, 2006, 7869-7876