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Communication: Accurate determination of side-chain torsion angle chi 1 in proteins: Phenylalanine residues. Journal of Chemical Physics 182.
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59, S. 29 - 35 (2011)
Natural Product Lego. Nachrichten aus der Chemie 183.
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380, S. 9 - 16 (2011)
Theoretical study of the excitation spectrum of azomethane. Chemical Physics 184.
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Influence of the Active Space on CASSCF Nonadiabatic Dynamics Simulations. International Journal of Quantum Chemistry 185.
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Theoretical Chemistry-Quo Vadis? Angewandte Chemie-International Edition 186.
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Theoretische Chemie – Quo Vadis? Angewandte Chemie 187.
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HT-PEM Fuel Cell System with Integrated Complex Metal Hydride Storage Tank. Fuel Cells 188.
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Steering Reaction Pathways: From Benzyl Claisen Rearrangements to Powerful Ionic Shifts. Chemistry-A European Journal 189.
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A facile synthesis of shape- and size-controlled α-Fe203 nanoparticles through hydrothermal method. Nano 190.
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Product formation in rhodopsin by fast hydrogen motions. Physical Chemistry Chemical Physics 191.
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Chiral Pathways and Periodic Decay in cis-Azobenzene Photodynamics. Journal of Physical Chemistry Letters 192.
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A new "spectroscopic" potential energy surface for formaldehyde in its ground electronic state. Journal of Chemical Physics 193.
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High-level ab initio potential energy surfaces and vibrational energies of H(2)CS. Journal of Chemical Physics 194.
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Towards efficient refinement of molecular potential energy surfaces: Ammonia as a case study. Journal of Molecular Spectroscopy 195.
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Tuning a P450 Enzyme for Methane Oxidation. Angewandte Chemie-International Edition 196.
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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)
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Die Evolitionsmaschine als Quelle für stereoselective Biokatalysatoren. In: Moleküle aus dem All?, S. 243 - 273 (Hg. Al-Shamery, K.). Wiley-VCH (2011)
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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)