Book Chapter (7)

201.
Book Chapter
Neese, F.: First Principles Approach to Spin-Hamiltonian Parameters. In: Multifrequency Electron Paramagnetic Resonance: Theory and Applications, pp. 295 - 326 (Ed. Misra, S. K.). Wiley-VCH Verlag GmbH, Weinheim (2011)
202.
Book Chapter
Neese, F.: Some Thoughts on the Scope of Linear Scaling Self-Consistent Field Electronic Structure Methods. In: Linear-Scaling Techniques in Computational Chemistry and Physics, pp. 227 - 261 (Eds. Zaleśny; Papadopoulos; Mezey). Springer Science & Business Media (2011)
203.
Book Chapter
Neese, F.; Petrenko, T.: Quantum Chemistry and Mössbauer Spectroscopy. In: Mössbauer Spectroscopy and Transition Metal Chemistry, pp. 137 - 199. Springer, Berlin, Heidelberg (2011)
204.
Book Chapter
Ye, S.; Christian, G. J.; Geng, C.; Neese, F.: Theoretical Spectroscopies of Iron-Containing Enzymes and Biomimetics. In: Iron-Containing Enzymes: Versatile Catalysts of Hydroxylation Reactions in Nature, pp. 119 - 147 (Ed. de Visser, S. P.). The Royal Society of Chemistry, London (2011)

Conference Paper (2)

205.
Conference Paper
Palkovits, R.; Tajvidi, K.; Procelewska, J.; Ruppert, A. M.: Efficient conversion of cellulose to sugar alcohols combining acid and hydrogenation catalysts. 241st ACS National Meeting & Exposition, Anaheim, California, March 27, 2011 - March 31, 2011. Abstracts of Papers of the American Chemical Society 241, (2011)
206.
Conference Paper
Palkovits, R.; Tajvidi, K.; Procelewska, J.; Ruppert, A. M.: Catalyst development and modeling of the hydrolytic hydrogenation of cellulose to sugar alcohols. Abstracts of Papers of the American Chemical Society 241, (2011)

Thesis - PhD (9)

207.
Thesis - PhD
Yan, K.: Transformation of Biogenic Carbohydrates into Levulinic Acid and further Hydroggenation using Supported Nanoparticles Catalysts Synthesized by Chemical Fluid Deposition. Dissertation, 158 pp., Rheinisch-Westfälische Technische Hochschule, Aachen (2011)
208.
Thesis - PhD
Benson, S.: Totalsynthese von Spirastrellolide F Methylester. Dissertation, 266 pp., Technische Universität Dortmund, Dortmund (2011)
209.
Thesis - PhD
Zumbansen, K.: Neue und verbesserte organokatalytische Aldolreaktionen. Dissertation, 261 pp., Universität zu Köln, Köln (2011)
210.
Thesis - PhD
Greven, R.: Nickel(II)−η3-allyl- und Nickel(II)−η5-cyclopentadienyl-Komplexe mit N-heterocyclischen Carben-Liganden und Gold(I)-Komplexe mit sterisch anspruchsvollen Phosphan-Liganden. Dissertation, 165 pp., Heinrich-Heine-Universität Düsseldorf, Düsseldorf (2011)
211.
Thesis - PhD
da Silva Junior, M. R.: Quantum Mechanical / Molecular Mechanical Study of Electronically Excited States and Assessment of Methods for Calculating Vertical Excitation Energies. Dissertation, 475 pp., Heinrich-Heine-Universität Düsseldorf, Düsseldorf (2011)
212.
Thesis - PhD
Yachmenev, A.: Variational calculations of rotational-vibrational spectra and properties of small molecules. Dissertation, 212 pp., Heinrich-Heine-Universität Düsseldorf, Düsseldorf (2011)
213.
Thesis - PhD
Liao, S.: Asymmetric Counteranion-Directed Transition Metal Catalysis: Enantioselective Epoxidation and Sulfoxidation with Ion-Pair Catalysts. Dissertation, 237 pp., Universität zu Köln, Köln (2011)
214.
Thesis - PhD
Benighaus, T.: Boundary Potentials for Hybrid Quantum Mechanical/Molecular Mechanical Simulations of Solvated Biomolecules. Dissertation, 155 pp., Heinrich-Heine-Universität Düsseldorf, Düsseldorf (2011)
215.
Thesis - PhD
Hickmann, V. A.: Schutzgruppenfreie enantioselective Totalsynthese von Ecklonialacton A und B sowie biologische Tests aktiver Naturstoffe. Dissertation, 182 pp., Technische Universität Dortmund, Dortmund (2011)
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