Publications of M. Bühl

Journal Article (84)

2005
Journal Article
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.
2004
Journal Article
Bühl, M.; Imhof, P.; Repisky, M. Rovibrational Corrections to Transition Metal NMR Shielding Constants. ChemPhysChem 2004, 5, 410–414.
Journal Article
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.
Journal Article
Bühl, M.; Mauschick, F. T. Density Functional Computation of ⁴⁹Ti NMR Chemical Shifts. Magnetic Resonance in Chemistry 2004, 42, 737–744.
Journal Article
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.
Journal Article
Bühl, M.; Thiel, W. Density Functional Study of Valence Trapping in a Mixed-Valent Dimanganese Complex. Inorganic Chemistry 2004, 43, 6377–6382.
Journal Article
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.
Journal Article
Grigoleit, S.; Bühl, M. Thermal Effects and Vibrational Corrections to Transition Metal NMR Chemical Shifts. Chemistry-A European Journal 2004, 10, 5541–5552.
Journal Article
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.
2003
Journal Article
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.
Journal Article
Bühl, M.; Mauschick, F. T. Density Functional Study of Catalytic Silane Alcoholysis at a [Fe(Cp)(CO)(PR3)]+ Center. Organometallics 2003, 22, 1422–1431.
Journal Article
Bernhardt, E.; Willner, H.; Kornath, A.; Breidung, J.; Bühl, M.; Jonas, V.; Thiel, W. 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 2003, 107, 859–868.
Journal Article
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.
Journal Article
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.
Journal Article
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.
2002
Journal Article
Bühl, M.; Mauschick, F. T. Thermal and Solvent Effects on 57Fe NMR Chemical Shiftst. Physical Chemistry Chemical Physics 2002, 4, 5508–5514.
Journal Article
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.
Journal Article
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.
Journal Article
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.
Journal Article
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.
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