Solvation Science @ RUB
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2005

20. A. Oleinikova, I. Brovchenko, N. Smolin, A. Krukau, A. Geiger, R. Winter, Percolation transition of hydration water: From planar hydrophilic surfaces to proteins. Phys. Rev. Lett. 95, 247802 (2005).
19. Y-S. Seo, T. Koga, J. Sokolov, M.H. Rafailovich, M. Tolan, S. Sinha, Deviations from Liquidlike Behavior in Molten Polymer Films at Interfaces. Phys. Rev. Lett. 94, 15780 (2005).
18. S. Shaik, D. Kumar, S. P. de Visser, A. Altun, W. Thiel, A Theoretical Perspective on Structure and Mechanism of Cytochrome P450 Enzymes. Chem. Rev. 105, 2279 (2005).
17. K. Wapner, B. Schönberger, M. Stratmann, G. Grundmeier, Applications of a new height regulated Scanning Kelvin Probe in Adhesion and Corrosion Science. J. Electrochem. Soc. 152, 3 (2005).
16. G. Grundmeier, M. Stratmann, Adhesion and de-adhesion processes at polymer/metal interfaces. Annu. Rev. Mater. Res. 35, 571 (2005).
15. T. Weißert, M. Petermann, H.-W. Lösch, F. Dreisbach, M. Uerdingen, Measurement of the selective sorption on Hexafluorophosphate and Ethylsulphate (ECOENG 212) in CH4/CO2 mixtures up to 13 MPa. Paper presented at the 1st International Congress on Ionic Liquids, Salzburg (2005).
14. M. Kurtz, J. Strunk, O. Hinrichsen, M. Muhler, K. Fink, B. Meyer, Ch. Wöll, Active Sites on Oxide Surfaces: ZnO-Catalyzed Synthesis of Methanol from CO and H2. Angew. Chem. Int. Ed. 44, 2790 (2005).
13. A.-V. Mudring, A. Babai, S. Arenz, R. Giernoth, The “Non-coordinating“ anion Tf2N– Coordinates to Yb2+: A Structurally characterized Tf2N– Complex from the Ionic Liquid [mppyr][Tf2N]. Angew. Chem. Int. Ed. 44, 5485 (2005).
12. O. Asvany, P. Kumar, B. Redlich, I. Hegemann, S. Schlemmer, D. Marx, Understanding the Infrared Spectrum of Bare CH5 +. Science 309, 1219 (2005).
11. H. Langer, N.L. Doltsinis, D. Marx, Excited-State Dynamics and Coupled Proton- Electron Transfer of Guanine: From the Gas Phase via Microsolvation to Aqueous Solution. ChemPhysChem. 6, 1734 (2005).
10. C. Hättig, Structure optimization for excited states with correlated second-order methods: CC2 and ADC(2), Adv. Quant. Chem. 50, 37 (2005).
9. H. Fliegl, W. Klopper, C. Hättig, Coupled-cluster theory with simplified linear-r12 corrections: The CCSD(R12) model. J. Chem. Phys. 122, 084107 (2005).
8. S. Hermes, F. Schröder, R. Chelmowski, C. Wöll, R. A. Fischer, Selective Nucleation and Growth of Metal-Organic Open Framework Thin Films on Patterned COOH/CF3-Terminated Self-Assembled Monolayers on Au(111). J. Am. Chem. Soc. 127, 13744-13745 (2005).
7. S. Hermes, M.-K. Schröter, R. Schmid, L. Khodeir, M. Muhler, A. Tissler, R. W. Fischer, R. A. Fischer, Metal@MOF: Loading of highly porous coordination polymers host lattices by metal organic chemical vapor deposition. Angew. Chem. Int. Ed. 44, 6237-6241 (2005).
6. C. Ratsch, A. Fielicke, A. Kirilyuk, J. Behler, G. von Helden, G. Meijer, M. Scheffler, Structure determination of small vanadium clusters by density-functional theory in comparison with experimental far-infrared spectra. J. Chem. Phys. 122, 124302 (2005).
5. S. D. Kiewitz, C. Cabrele, Synthesis and conformational properties of protein fragments based on the Id family of DNA-binding and cell-differentiation inhibitors. Biopolymers (Peptide Sci.) 80, 762 (2005).
4. J. Behler, B. Delley, S. Lorenz, K. Reuter, M. Scheffler, Dissociation of O2 at Al (111): The role of spin selection rules. Phys. Rev. Lett. 94, 036104 (2005).
3. H. Weingärtner, E.U. Franck, Supercritical water as a solvent, Angew. Chem. Int. Ed. 44, 2672 (2005).
2. O. Asvany, P. Kumar-P., B. Redlich, I. Hegemann, S. Schlemmer, D. Marx, Understanding the Infrared Spectrum of Bare CH5+ , Science 309, 1219 (2005).
1. A.L. Sobolewski, W. Domcke, C. Hättig, Tautomeric selectivity of the excited-state lifetime of guanine/cytosine base pairs: The role of electron-driven proton-transfer processes. Proc. Nat. Acad. Sci. U.S.A. 102, 17903 (2005)