Zeitschriftenartikel (228)

21.
Zeitschriftenartikel
Neese, F.: A critical evaluation of DFT, including time-dependent DFT, applied to bioinorganic chemistry. Journal of Biological Inorganic Chemistry 11 (9), S. 702 - 711 (2006)
22.
Zeitschriftenartikel
Patra, A. K.; Bill, E.; Bothe, E.; Chlopek, K.; Neese, F.; Weyhermüller, T.; Stobie, K.; Ward, M. D.; McCleverty, J. A.; Wieghardt, K.: Electronic Structure of Mononuclear Bis(1,2-diaryl-1,2-ethylenedithiolato)iron Complexes Containing a Fifth Cyanide or Phosphite Ligand:  A Combined Experimental and Computational Study. Inorganic Chemistry 45 (19), S. 7877 - 7890 (2006)
23.
Zeitschriftenartikel
Sinnecker, S.; Neese, F.: QM/MM calculations with DFT for taking into account protein effects on the EPR and optical spectra of metalloproteins. Plastocyanin as a case study. Journal of Computational Chemistry 27 (12), S. 1463 - 1475 (2006)
24.
Zeitschriftenartikel
Fürstner, A.; Fenster, M. D. B.; Fasching, B.; Godbout, C.; Radkowski, K.: Toward the Total Synthesis of Spirastrellolide A. Part 1: Strategic Considerations and Preparation of the Southern Domain. Angewandte Chemie International Edition 45 (33), S. 5506 - 5510 (2006)
25.
Zeitschriftenartikel
Fürstner, A.; Fenster, M. D. B.; Fasching, B.; Godbout, C.; Radkowski, K.: Toward the Total Synthesis of Spirastrellolide A. Part 2: Conquest of the Northern Hemisphere. Angewandte Chemie International Edition 45 (33), S. 5510 - 5515 (2006)
26.
Zeitschriftenartikel
Chlopek, K.; Bothe, E.; Neese, F.; Weyhermüller, T.; Wieghardt, K.: Molecular and Electronic Structures of Tetrahedral Complexes of Nickel and Cobalt Containing N,N‘-Disubstituted, Bulky o-Diiminobenzosemiquinonate(1−) π-Radical Ligands. Inorganic Chemistry 45 (16), S. 6298 - 6307 (2006)
27.
Zeitschriftenartikel
Farès, C.; Carlomagno, T.: SHARP-TACSY:  Triple-Band Tailored Correlated Spectroscopy for Base-to-Sugar Transfer in Nucleic Acid Residues with Intermediate Time Scale Motions. Journal of the American Chemical Society 128 (30), S. 9856 - 9862 (2006)
28.
Zeitschriftenartikel
Neese, F.: Importance of Direct Spin−Spin Coupling and Spin-Flip Excitations for the Zero-Field Splittings of Transition Metal Complexes:  A Case Study. Journal of the American Chemical Society 128 (31), S. 10213 - 10222 (2006)
29.
Zeitschriftenartikel
Panda, S. K.; Schrader, W.; Andersson, J. T.: β-Cyclodextrin as a stationary phase for the group separation of polycyclic aromatic compounds in normal-phase liquid chromatography. Journal of Chromatography A 1122 (1-2), S. 88 - 96 (2006)
30.
Zeitschriftenartikel
Khelashvili, G.; Behrens, S.; Weidenthaler, C.; Vetter, C.; Hinsch, A.; Kern, R.; Skupien, K.; Dinjus, E.; Bönnemann, H.: Catalytic platinum layers for dye solar cells: A comparative study. Thin Solid Films 511-512, S. 342 - 348 (2006)
31.
Zeitschriftenartikel
Fürstner, A.; Kattnig, E.; Lepage, O.: Total Syntheses of Amphidinolide X and Y. Journal of the American Chemical Society 128 (28), S. 9194 - 9204 (2006)
32.
Zeitschriftenartikel
Ganyushin, D.; Neese, F.: First-principles calculations of zero-field splitting parameters. The Journal of Chemical Physics 125 (2), 024103 (2006)
33.
Zeitschriftenartikel
Berry, J. F.; Bill, E.; Bothe, E.; DeBeer George, S.; Mienert, B.; Neese, F.; Wieghardt, K.: An Octahedral Coordination Complex of Iron(VI). Science 312 (5782), S. 1937 - 1941 (2006)
34.
Zeitschriftenartikel
Fürstner, A.; Domostoj, M. M.; Scheiper, B.: Total Syntheses of the Telomerase Inhibitors Dictyodendrin B, C, and E. Journal of the American Chemical Society 128 (24), S. 8087 - 8094 (2006)
35.
Zeitschriftenartikel
Mayer, S.; List, B.: Asymmetric Counteranion-Directed Catalysis. Angewandte Chemie International Edition 45 (25), S. 4193 - 4195 (2006)
36.
Zeitschriftenartikel
Mamatha, M.; Weidenthaler, C.; Pommerin, A.; Felderhoff, M.; Schüth, F.: Comparative studies of the decomposition of alanates followed by in situ XRD and DSC methods. Journal of Alloys and Compounds 416 (1-2), S. 303 - 314 (2006)
37.
Zeitschriftenartikel
Finze, M.; Bernhardt, E.; Willner, H.; Lehmann, C. W.: (PPh3)3RhCNB(CF3)3 and (PPh3)3RhNCB(CF3)3:  Isocyano- and Cyanoborate Complexes of Tris(triphenylphosphine)rhodium(I). Organometallics 25 (12), S. 3070 - 3075 (2006)
38.
Zeitschriftenartikel
Silva, J.M.S.; Vinhado, F.S.; Mandelli, D.; Schuchardt, U.; Rinaldi, R.: The chemical reactivity of some terpenes investigated by alumina catalyzed epoxidation with hydrogen peroxide and by DFT calculations. Journal of Molecular Catalysis A 252, S. 186 - 193 (2006)
39.
Zeitschriftenartikel
Fürstner, A.; Alcarazo, M.; César, V.; Lehmann, C. W.: Convenient, scalable and flexible method for the preparation of imidazolium salts with previously inaccessible substitution patterns. Chemical Communications (20), S. 2176 - 2178 (2006)
40.
Zeitschriftenartikel
Fish, C.; Green, M.; Kilby, R. J.; Lynam, J. M.; McGrady, J. E.; Pantazis, D. A.; Russell, C. A.; Whitwood, A. C.; Willans, C. E.: A New Reaction Pathway in Organophosphorus Chemistry: Competing SN2 and AE′ Pathways for Nucleophilic Attack at a Phosphorus–Carbon Cage Compound. Angewandte Chemie International Edition 45 (22), S. 3628 - 3631 (2006)
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