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 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, No. 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, No. 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, No. 16, 2770–2775.