Buchkapitel (298)

5081.
Buchkapitel
Klussmann, M.: Mechanism in Organocatalysis. In: Science of Synthesis Asymmetric Organocatalysis 2, S. 633 - 671 (Hg. List, B.). Thieme, Stuttgart (2012)
5082.
Buchkapitel
Reetz, M. T.: Directed Evolution of Enzymes. In: Enzyme Catalysis in Organic Synthesis, Bd. 1-3, 3 Aufl., S. 119 - 190. Wiley-VCH, Weinheim (2012)
5083.
Buchkapitel
Atanasov, M.; Ganyushin, D.; Sivalingam, K.; Neese, F.: A Modern First-Principles View on Ligand Field Theory Through the Eyes of Correlated Multireference Wavefunctions. In: Structure and Bonding: Molecular Electronic Structures of Transition Metal Complexes II, Bd. 143, S. 149 - 220 (Hg. Mingos, D. M. P.; Day, P.). Springer, Berlin, Heidelberg (2012)
5084.
Buchkapitel
Barbatti, M.; Ruckenbauer, M.; Szymczak, J. J.; Sellner, B.; Vazdar, M.; Antol, I.; Eckert-Maksić, M.; Lischka, H.: Model Systems for Dynamics of π-Conjugated Biomolecules in Excited States. In: Handbook of Computational Chemistry, Bd. 3, S. 1175 - 1213 (Hg. Leszczynski, J.). Springer Science+Business Media B.V., Dordrecht (2012)
5085.
Buchkapitel
DeBeer, S.; van Gastel, M.; Bill, E.; Ye, S.; Petrenko, T.; Pantazis, D. A.; Neese, F.: 4.5 Challenges in Molecular Energy Research. In: Chemical Energy Storage (Hg. Schlögl, R.). Walter De Gruyter, Berlin (2012)
5086.
Buchkapitel
Muya, J. T.; Gopakumar, G.; Lijnen, E.; Nguyen, M. T.; Ceulemans, A.: Investigations of the Boron Buckyball B80: Bonding Analysis and Chemical Reactivity. In: Progress in Theoretical Chemistry and Physcis, Bd. 23, S. 265 - 278 (Hg. Atanasov, M.; Daul, C.; Trigenna-Piggott, P. L. W.). Springer Science+Business Media B. V., Dordrecht, The Netherlands (2012)
5087.
Buchkapitel
Schmidt, W.: Synthetic Inorganic Ion Exchange. In: Ion Exchange Technology I, Bd. 1, S. 277 - 298 (Hg. Inamuddin; Luqman, M.). Springer (2012)
5088.
Buchkapitel
Sundararajan, M.; Riplinger, C.; Orio, M.; Wennmohs, F.; Neese, F.: Spectroscopic Properties of Protein‐Bound Cofactors: Calculation by Combined Quantum Mechanical/Molecular Mechanical (QM/MM) Approaches. In: Encyclopedia of Inorganic and Bioinorganic Chemistry (Hg. Scott, R. A.; Storr, T.). John Wiley & Sons, Hoboken (2011)
5089.
Buchkapitel
Reetz, M.T.: Die Evolitionsmaschine als Quelle für stereoselective Biokatalysatoren. In: Moleküle aus dem All?, S. 243 - 273 (Hg. Al-Shamery, K.). Wiley-VCH (2011)
5090.
Buchkapitel
Barbatti, M.; Shepard, R.; Lischka, H.: Computational and Methodological Elements for Nonadiabatic Trajectory Dynamics Simulations of Molecules. In: Conical Intersections: Theory, Computation and Experiment, S. 415 - 462 (Hg. Domcke, W.; Yarkony , D. R.; Köppel, H.). World Scientific Publishing, Singapore (2011)
5091.
Buchkapitel
Neese, F.: First Principles Approach to Spin-Hamiltonian Parameters. In: Multifrequency Electron Paramagnetic Resonance: Theory and Applications, S. 295 - 326 (Hg. Misra, S. K.). Wiley-VCH Verlag GmbH, Weinheim (2011)
5092.
Buchkapitel
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, S. 227 - 261 (Hg. Zaleśny; Papadopoulos; Mezey). Springer Science & Business Media (2011)
5093.
Buchkapitel
Neese, F.; Petrenko, T.: Quantum Chemistry and Mössbauer Spectroscopy. In: Mössbauer Spectroscopy and Transition Metal Chemistry, S. 137 - 199. Springer, Berlin, Heidelberg (2011)
5094.
Buchkapitel
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, S. 119 - 147 (Hg. de Visser, S. P.). The Royal Society of Chemistry, London (2011)
5095.
Buchkapitel
Cimino, P.; Neese, F.; Barone, V.: Calculation of Magnetic Tensor and EPR Spectra for Free Radicals in Different Environments. In: Computational Spectroscopy: Methods, Experiments and Applications, S. 63 - 104 (Hg. Grunenberg, J.). Wiley-VCH Verlag GmbH, Weinheim (2010)
5096.
Buchkapitel
Hintermair, U.; Leitner, W.; Jessop, P.: Gas-expanded Liquids and Liquid-Supercritical Fluid Biphasic Systems. In: Handbook of Green Chemistry, S. 101 - 187 (Hg. Anastas, P.). Wiley-VCH, Weinheim, Weinheim (2010)
5097.
Buchkapitel
Jessop, P.; Leitner, W.: Introduction. In: Handbook of Green Chemistry, S. 1 - 30 (Hg. Anastas, P.). Wiley-VCH, Weinheim, Weinheim (2010)
5098.
Buchkapitel
Kampen, D.; Reisinger, C. M.; List, B.: Chiral Brønsted Acids for Asymmetric Organocatalysis. In: Topics in Current Chemistry, Vol. 291: Asymmetric Organocatalysis, Bd. 291, S. 395 - 456 (Hg. List, B.). Springer Verlag, Berlin Heidelberg (2010)
5099.
Buchkapitel
List, B.: Enough Organocatalysis? In: Topics in Current Chemistry, Vol. 291: Asymmetric Organocatalysis, Bd. 291, S. ix - x (Hg. List, B.). Springer Verlag, Berlin Heidelberg (2010)
5100.
Buchkapitel
Neese, F.; Ames, W.; Christian, G.; Kampa, M.; Liakos, D. G.; Pantazis, D. A.; Roemelt, M.; Surawatanawong, P.; Shengfa, Y. E.: Dealing with Complexity in Open-Shell Transition Metal Chemistry from a Theoretical Perspective: Reaction Pathways, Bonding, Spectroscopy, And Magnetic Properties. In: Advances in Inorganic Chemistry, Bd. 62, S. 301 - 349 (Hg. van Eldik, R.; Harvey, J.). Elsevier, Amsterdam (2010)
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