Publikationen von M. Bühl

Ramalho, T. C.; Bühl, M.; Figueroa-Villar, J. D.; Bicca de Alencastro, R. Computational NMR spectroscopy of transition-metal/nitroimidazole complexes: Theoretical investigation of potential radiosensitizers. Helvetica Chimica Acta 2005, 88, 2705–2721.

Bühl, M.; Imhof, P.; Repisky, M. Rovibrational corrections to transition metal NMR shielding constants. ChemPhysChem 2004, 5, 410–414.

Bühl, M.; Ludwig, R.; Schurhammer, R.; Wipff, G. Hydronium ion complex of 18-crown-6: Theory confirms three "normal" linear hydrogen bonds. Journal of Physical Chemistry A 2004, 108, 11463–11468.

Bühl, M.; Mauschick, F. T. Density functional computation of ⁴⁹Ti NMR chemical shifts. Magnetic Resonance in Chemistry 2004, 42, 737–744.

Bühl, M.; Schurhammer, R.; Imhof, P. Peroxovanadate imidazole complexes as catalysts for olefin epoxidation: Density functional study of dynamics, ⁵¹V NMR chemical shifts, and mechanism. Journal of the American Chemical Society 2004, 126, 3310–3320.

Bühl, M.; Thiel, W. Density functional study of valence trapping in a mixed-valent dimanganese complex. Inorganic Chemistry 2004, 43, 6377–6382.

Fleischer, H.; Glang, S.; Schollmeyer, D.; Mitzel, N. W.; Bühl, M. Experimental investigations and ab initio studies of selenium(II) dialkanethiolates, Se(SR)₂. Dalton Transactions 2004, Nr. 21, 3765–3771.

Grigoleit, S.; Bühl, M. Thermal effects and vibrational corrections to transition metal NMR chemical shifts. Chemistry-A European Journal 2004, 10, 5541–5552.

Stambuli, J. P.; Incarvito, C. D.; Bühl, M.; Hartwig, J. F. Synthesis, structure, theoretical studies, and ligand exchange reactions of monomeric, T-shaped arylpalladium(II) halide complexes with an additional, weak agostic interaction. Journal of the American Chemical Society 2004, 126, 1184–1194.

Angermund, K.; Bühl, M.; Endruschat, U.; Mauschick, F. T.; Mörtel, R.; Mynott, R.; Tesche, B.; Waldöfner, N.; Bönnemann, H.; Köhl, G.; Modrow, H.; Hormes, J.; Dinjus, E.; Gassner, F.; Haubold, H.-G.; Vad, T.; Kaupp, M. In situ study on the wet chemical synthesis of nanoscopic Pt colloids by "reductive stabilization". Journal of Physical Chemistry B 2003, 107, 7507–7515.

Bühl, M.; Mauschick, F. T. Density functional study of catalytic silane alcoholysis at a [Fe(Cp)(CO)(PR₃)]⁺ center. Organometallics 2003, 22, 1422–1431.

Bernhardt, E.; Willner, H.; Kornath, A.; Breidung, J.; Bühl, M.; Jonas, V.; Thiel, W. D_3d ground-state structure of V(CO)₆: A combined matrix isolation and ab initio study of the Jahn-Teller effect. Journal of Physical Chemistry A 2003, 107, 859–868.

Jelínek, T.; Stíbr, B.; Kennedy, J. D.; Hnyk, D.; Bühl, M.; Hofmann, M. Azacarbaborane chemistry. Butyl nitrite synthesis of the new eight-, nine- and ten-vertex azacarbaboranes exo- and endo-7-CH₃-hypho-7,8-NCB₆H₁₁, nido-6,8,9-NC₂B₇H₁₀, arachno-6,5,9-NC₂B₇H₁₂, and arachno-6,5,10-C₂NB₇H₁₂. Dalton Transactions 2003, Nr. 7, 1326–1331.

Kluwer, A. M.; Elsevier, C. J.; Bühl, M.; Lutz, M.; Spek, A. L. Zero-valent palladium complexes with monodentate nitrogen s-donor ligands. Angewandte Chemie-International Edition 2003, 42, 3501–3504.

Kluwer, A. M.; Elsevier, C. J.; Bühl, M.; Lutz, M.; Spek, A. L. Zerovalent Palladium Complexes with Monodentate Nitrogen s-Donor Ligands. Angewandte Chemie 2003, 115, 3625–3628.

Bühl, M.; Mauschick, F. T. Thermal and solvent effects on ⁵⁷Fe NMR chemical shiftst. Physical Chemistry Chemical Physics 2002, 4, 5508–5514.

Bühl, M. Structure, dynamics, and magnetic shieldings of permanganate ion in aqueous solution. A density functional study. Journal of Physical Chemistry A 2002, 106, 10505–10509.

Vyboishchikov, S. E.; Bühl, M.; Thiel, W. Mechanism of olefin metathesis with catalysis by ruthenium carbene complexes: Density functional studies on model systems. Chemistry-A European Journal 2002, 8, 3962–3975.

Stambuli, J. P.; Bühl, M.; Hartwig, J. F. Synthesis, characterization, and reactivity of monomeric, arylpalladium halide complexes with a hindered phosphine as the only dative ligand. Journal of the American Chemical Society 2002, 124, 9346–9347.

Smith, R. J.; Trzoss, M.; Bühl, M.; Bienz, S. The cram rule revisited once more - Revision of the Felkin-Anh model. European Journal of Organic Chemistry 2002, Nr. 16, 2770–2775.