Publications of M. Bühl
All genres
Journal Article (84)
2005
Journal Article
88 (10), pp. 2705 - 2721 (2005)
Computational NMR spectroscopy of transition-metal/nitroimidazole complexes: Theoretical investigation of potential radiosensitizers. Helvetica Chimica Acta 2004
Journal Article
5 (3), pp. 410 - 414 (2004)
Rovibrational corrections to transition metal NMR shielding constants. ChemPhysChem
Journal Article
108 (51), pp. 11463 - 11468 (2004)
Hydronium ion complex of 18-crown-6: Theory confirms three "normal" linear hydrogen bonds. Journal of Physical Chemistry A
Journal Article
42 (9), pp. 737 - 744 (2004)
Density functional computation of ⁴⁹Ti NMR chemical shifts. Magnetic Resonance in Chemistry
Journal Article
126 (10), pp. 3310 - 3320 (2004)
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
Journal Article
43 (20), pp. 6377 - 6382 (2004)
Density functional study of valence trapping in a mixed-valent dimanganese complex. Inorganic Chemistry
Journal Article
Experimental investigations and ab initio studies of selenium(II) dialkanethiolates, Se(SR)₂. Dalton Transactions (21), pp. 3765 - 3771 (2004)
Journal Article
10 (21), pp. 5541 - 5552 (2004)
Thermal effects and vibrational corrections to transition metal NMR chemical shifts. Chemistry-A European Journal
Journal Article
126 (4), pp. 1184 - 1194 (2004)
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 2003
Journal Article
107 (30), pp. 7507 - 7515 (2003)
In situ study on the wet chemical synthesis of nanoscopic Pt colloids by "reductive stabilization". Journal of Physical Chemistry B
Journal Article
22 (7), pp. 1422 - 1431 (2003)
Density functional study of catalytic silane alcoholysis at a [Fe(Cp)(CO)(PR3)]+ center. Organometallics
Journal Article
107 (6), pp. 859 - 868 (2003)
D3d 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
Journal Article
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)
Journal Article
42 (30), pp. 3501 - 3504 (2003)
Zero-valent palladium complexes with monodentate nitrogen s-donor ligands. Angewandte Chemie-International Edition
Journal Article
115, pp. 3625 - 3628 (2003)
Zerovalent Palladium Complexes with Monodentate Nitrogen s-Donor Ligands. Angewandte Chemie 2002
Journal Article
4 (22), pp. 5508 - 5514 (2002)
Thermal and solvent effects on 57Fe NMR chemical shiftst. Physical Chemistry Chemical Physics
Journal Article
106 (44), pp. 10505 - 10509 (2002)
Structure, dynamics, and magnetic shieldings of permanganate ion in aqueous solution. A density functional study. Journal of Physical Chemistry A
Journal Article
8 (17), pp. 3962 - 3975 (2002)
Mechanism of olefin metathesis with catalysis by ruthenium carbene complexes: Density functional studies on model systems. Chemistry-A European Journal
Journal Article
124 (32), pp. 9346 - 9347 (2002)
Synthesis, characterization, and reactivity of monomeric, arylpalladium halide complexes with a hindered phosphine as the only dative ligand. Journal of the American Chemical Society
Journal Article
The cram rule revisited once more - Revision of the Felkin-Anh model. European Journal of Organic Chemistry (16), pp. 2770 - 2775 (2002)