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Sundermann, U.; Kushnir, S.; Schulz, F.: Natural Product Lego. Nachrichten aus der Chemie 59, S. 29 - 35 (2011)
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Szalay, P. G.; Aquino, A. J. A.; Barbatti, M.; Lischka, H.: Theoretical study of the excitation spectrum of azomethane. Chemical Physics 380, S. 9 - 16 (2011)
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Szymczak, J. J.; Barbatti, M.; Lischka, H.: Influence of the Active Space on CASSCF Nonadiabatic Dynamics Simulations. International Journal of Quantum Chemistry 111, S. 3307 - 3315 (2011)
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Thiel, W.: Theoretical Chemistry-Quo Vadis? Angewandte Chemie-International Edition 50, S. 9216 - 9217 (2011)
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Thiel, W.: Theoretische Chemie – Quo Vadis? Angewandte Chemie 123, S. 9382 - 9384 (2011)
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Urbanczyk, R.; Peil, S.; Bathen, D.; Heßke, C.; Burfeind, J.; Hauschild, K.; Felderhoff, M.; Schüth, F.: HT-PEM Fuel Cell System with Integrated Complex Metal Hydride Storage Tank. Fuel Cells 11, S. 911 - 920 (2011)
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Valerio, V.; Madelaine, C.; Maulide, N.: Steering Reaction Pathways: From Benzyl Claisen Rearrangements to Powerful Ionic Shifts. Chemistry-A European Journal 17, S. 4742 - 4745 (2011)
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Wang, G.-H.; Li, W.-C.; Jia, K.-M.; Lu, A.-H.; Feyen, M.; Spliethoff, B.; Schüth, F.: A facile synthesis of shape- and size-controlled α-Fe203 nanoparticles through hydrothermal method. Nano 6, S. 469 - 479 (2011)
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Weingart, O.; Altoè, P.; Stenta, M.; Bottoni, A.; Orlandi, G.; Garavelli, M.: Product formation in rhodopsin by fast hydrogen motions. Physical Chemistry Chemical Physics 13, S. 3645 - 3648 (2011)
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Weingart, O.; Lan, Z. G.; Koslowski, A.; Thiel, W.: Chiral Pathways and Periodic Decay in cis-Azobenzene Photodynamics. Journal of Physical Chemistry Letters 2, S. 1506 - 1509 (2011)
192.
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Yachmenev, A.; Yurchenko, S. N.; Jensen, P.; Thiel, W.: A new "spectroscopic" potential energy surface for formaldehyde in its ground electronic state. Journal of Chemical Physics 134, 244307 (2011)
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Yachmenev, A.; Yurchenko, S. N.; Ribeyre, T.; Thiel, W.: High-level ab initio potential energy surfaces and vibrational energies of H(2)CS. Journal of Chemical Physics 135, 074302 (2011)
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Yurchenko, S. N.; Barber, R. J.; Tennyson, J.; Thiel, W.; Jensen, P.: Towards efficient refinement of molecular potential energy surfaces: Ammonia as a case study. Journal of Molecular Spectroscopy 268, S. 123 - 129 (2011)
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Zilly, F. E.; Acevedo, J. P.; Augustyniak, W.; Deege, A.; Häusig, U. W.; Reetz, M. T.: Tuning a P450 Enzyme for Methane Oxidation. Angewandte Chemie-International Edition 50, S. 2720 - 2724 (2011)
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Zilly, F. E.; Acevedo, J. P.; Augustyniak, W.; Deege, A.; Häusig, U. W.; Reetz, M. T.: Tuning a P450 Enzyme for Methane Oxidation. Angewandte Chemie 123, S. 2772 - 2776 (2011)

Buch (1)

197.
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Fabiano, E.; Lan, Z.; Lu, Y.; Thiel, W.: Nonadiabatic Trajectory Calculations with Ab Initio and Semiempirical Methods. World Scientific Publishing, Singapore (2011), 463-496 S.

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198.
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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)
199.
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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)
200.
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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)
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