• Structural studies on natural products with quantum chemical methods
• prediction of optical properties of organic and organometallic molecules with a special emphasis on chiroptical properties by TDDFT or MRCI methods
• Elucidation of absolute configurations of organic molecules by a combination of experimental and quantum chemically predicted spectra (NMR, UV, ECD)
• development of SpecDis

For examples have a look at  the publication list and at --> Fields of Research --> Computational Chemistry

Since 05/2008 at the Institute of Organic Chemistry, University of Würzburg, in the working group of Prof. Dr. Dr. h.c. G. Bringmann.

"Atropo-enantioselective totalsynthesis of asphodelin and elucidation of absolute configurations by quantum chemical calculations"

Siamese-Twin Porphyrin: A Pyrazole-Based Expanded Porphyrin of Persistent Helical Conformation (VIP-Paper + Cover), L. K. Blusch, Y. Hemberger, K. Pröpper, B. Dittrich, F. Witterauf, M. John, G. Bringmann, C. Brückner, F. Meyer, Chem. Eur. J. 2013, 19, 5868–5880.

SpecDis: Quantifying the Comparison of Calculated and Experimental Electronic Circular Dichroism Spectra, T. Bruhn, A. Schaumlöffel, Y. Hemberger, G. Bringmann, Chirality 2013, 25, 243–249.

Synthesis, optical resolution, absolute configuration, and osteogenic activity of cis-pterocarpans, A. Goel, A. Kumar, Y. Hemberger, A. Raghuvanshi, R. Jeet, G. Tiwari, M. Knauer, J. Kureel, A. K. Singh, A. Gautam, R. Trivedi, D. Singh, G. Bringmann,  Org. Biomol. Chem., 2012, 10, 9583-9592.

Marilines A-D, Novel Phthalimidines from the Sponge-Derived Fungus Stachylidium sp., C. Almeida, Y. Hemberger, S. Bouhired, L. Natesan, S. Kehraus, K. Dimas, M. Gütschow, G. Bringmann, G.M. König; Chem. Eur. J. 2012, 18, 8827-8834.

Partially Reduced 8- Oxa[5]helicenes and [5]Helicenes – Synthesis, Structure, and Dynamics, A. Goel, D. Verma, R. Pratap, G. Taneja, Y. Hemberger, M. Knauer, R. Raghunandan, P.R. Maulik, V.J. Ram, G. Bringmann; Eur. J. Org. Chem. 2011, 2940–2947.

New cis-Configured Aziridine-2-carboxylates as Aspartic Acid Protease Inhibitors, C. Büchold, Y. Hemberger, C. Heindl, A. Welker, B. Degel, T. Pfeuffer, P. Staib, S. Schneider, P. J. Rosenthal, J. Gut, J. Morschhäuser, G. Bringmann, T. Schirmeister;  ChemMedChem 2011, 6, 141–152.

Total Synthesis of the N,C-Coupled Naphthylisoquinoline Alkaloids Ancistrocladinium A and B and Related Analogues, G. Bringmann, T. Gulder, B. Hertlein, Y. Hemberger, F. Meyer, J. Am. Chem. Soc. 2010, 123, 1151–1158.

The Assignment of Absolute Stereostructures by Quantum Chemical Circular Dichroism Calculations, G. Bringmann, T. Bruhn, K. Maksimenka, Y. Hemberger, Eur. J. Org. Chem. 2009, 2717 - 2727.

The absolute configuration of streptonigrin, G. Bringmann, M. Reichert, Y. Hemberger, Tetrahedron 2007, 64, 515-521.

[{Br₂B(n⁵-C₅H₄)}Mn(CO)₃] - A versatile Precursor for Boron-based Ligands, H. Braunschweig, H. Bera, S. Stellwag, S. Schwarz, Y. Hemberger, K. Radacki, Z. Anorg. Allg. Chem. 2007, 633, 2314-2320.

Experimental and Theoretical Circular Dichroism Investigations on New cis-Configured Aziridine-2-Carboxylates, Y. Hemberger, C. Büchhold, T. Schirmeister, G. Bringmann, CD2011 – 13th International Conference on Chiroptical Spectroscopy 2011, Oxford, UK.

Total Synthesis, Stereostructures and -dynamics of Novel N,C-Coupled Naphthylisoquinolines, B. Hertlein, Y. Hemberger, A. Schaumlöffel, T. Gulder, P. Stawski, G. Bringmann, 22. Naturstofftage Irsee 2010, Irsee, Germany.

The Online Assignment of Absolute Stereostructures: HPLC-CD in Combination with Quantum Chemical CD Calculations; D. C. G. Götz, T. Bruhn, Y. Hemberger, T. Gulder, T. A. M. Gulder, M.Knauer, G. Bringmann;  21. Irseer Naturstofftage 2009, Irsee, Germany.

Ancistrocladus tectorius: A Rich Source of Novel-Type Naphthylisoquinoline Alkaloids - Quinoid, Pentacyclic, N,C-Coupled, Dimeric!" B. Hertlein, Y. Hemberger, M. Xu, T. Bruhn, G.Bringmann, ChemSyStM 2008, Würzburg, Germany.

Absolute Configuration Online, Right from the Peak in the Chromatogram: HPLC-CD in Combination with Quantum Chemical CD Calculations, Y. Hemberger, T. Bruhn, T. A. M. Gulder, T. Gulder, G. Bringmann, ChemSyStM 2007, Würzburg, Germany.

A. Schaumlöffel, Y. Hemberger, Elucidation of Absolute Configurations: Special Molecules Require Special Methods; October 2012, Naturstofftreffen, Leibniz-Institut für Pflanzenbiochemie, Halle, Germany.

Y. Hemberger, A. Schaumlöffel; "Computerchemie - ein wichtiges Werkzeug zur Aufklärung von Naturstoffen"; July 2009, Kolloquium des Instituts für Biochemische Verfahren und Analysen (IBVA), FH Giessen-Friedberg, Germany.