Publications of 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 88 (10), pp. 2705 - 2721 (2005)

Bühl, M.; Imhof, P.; Repisky, M.: Rovibrational corrections to transition metal NMR shielding constants. ChemPhysChem 5 (3), pp. 410 - 414 (2004)

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 108 (51), pp. 11463 - 11468 (2004)

Bühl, M.; Mauschick, F. T.: Density functional computation of ⁴⁹Ti NMR chemical shifts. Magnetic Resonance in Chemistry 42 (9), pp. 737 - 744 (2004)

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 126 (10), pp. 3310 - 3320 (2004)

Bühl, M.; Thiel, W.: Density functional study of valence trapping in a mixed-valent dimanganese complex. Inorganic Chemistry 43 (20), pp. 6377 - 6382 (2004)

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 (21), pp. 3765 - 3771 (2004)

Grigoleit, S.; Bühl, M.: Thermal effects and vibrational corrections to transition metal NMR chemical shifts. Chemistry-A European Journal 10 (21), pp. 5541 - 5552 (2004)

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 126 (4), pp. 1184 - 1194 (2004)

Angermund, K.; Bühl, M.; Endruschat, U.; Mauschick, F. T.; Mörtel, R.; Mynott, R.; Tesche, B.; Waldöfner, N.; Bönnemann, H.; Köhl, G. et al.; 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 107 (30), pp. 7507 - 7515 (2003)

Bühl, M.; Mauschick, F. T.: Density functional study of catalytic silane alcoholysis at a [Fe(Cp)(CO)(PR₃)]⁺ center. Organometallics 22 (7), pp. 1422 - 1431 (2003)

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 107 (6), pp. 859 - 868 (2003)

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 (7), pp. 1326 - 1331 (2003)

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 42 (30), pp. 3501 - 3504 (2003)

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

Bühl, M.; Mauschick, F. T.: Thermal and solvent effects on ⁵⁷Fe NMR chemical shiftst. Physical Chemistry Chemical Physics 4 (22), pp. 5508 - 5514 (2002)

Bühl, M.: Structure, dynamics, and magnetic shieldings of permanganate ion in aqueous solution. A density functional study. Journal of Physical Chemistry A 106 (44), pp. 10505 - 10509 (2002)

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 8 (17), pp. 3962 - 3975 (2002)

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 124 (32), pp. 9346 - 9347 (2002)

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 (16), pp. 2770 - 2775 (2002)