Publikationen von M. Bühl

Hnyk, D.; Bühl, M.; Brain, P. T.; Robertson, H. E.; Rankin, D. W. H. Gas-phase structure of (1,1,1,5,5,5-hexafluoro-2,4- pentanedionato)(η²)-1,5-cyclooctadiene)copper(I), Cu(1,5- cod)(hfac), an important precursor for vapor deposition of copper. Journal of the American Chemical Society 2002, 124, 8078–8084.

Bühl, M. Density functional computation of ⁵⁵Mn NMR parameters. Theoretical Chemistry Accounts 2002, 107, 336–342.

Bühl, M.; Wipff, G. Hydronium ion complex of 18-crown-6: Where are the protons? A density functional study of static and dynamic properties. Journal of the American Chemical Society 2002, 124, 4473–4480.

van Staveren, D. R.; Bill, E.; Bothe, E.; Bühl, M.; Weyhermüller, T.; Metzler-Nolte, N. Fluxional processes in diamagnetic and paramagnetic allyl dicarbonyl and 2-methylallyl dicarbonyl molybdenum histidinato complexes as revealed by spectroscopic data and density functional calculations. Chemistry-A European Journal 2002, 8, 1649–1662.

Bühl, M.; Mauschick, F. T. On the mechanism of olefin polymerisation with titanium β-diketonato complexes. A model density functional study. Journal of Organometallic Chemistry 2002, 648, 126–133.

Angermund, K.; Bühl, M.; Dinjus, E.; Endruschat, U.; Gassner, F.; Haubold, H. G.; Hormes, J.; Köhl, G.; Mauschick, F. T.; Modrow, H.; Mörtel, R.; Mynott, R.; Tesche, B.; Vad, T.; Waldöfner, N.; Bönnemann, H. Nanoscopic Pt colloids in the "embryonic state". Angewandte Chemie - International Edition 2002, 41, 4041–4044.

Angermund, K.; Bühl, M.; Dinjus, E.; Endruschat, U.; Gassner, F.; Haubold, H.-G.; Hormes, J.; Köhl, G.; Mauschick, F. T.; Modrow, H.; Mörtel, R.; Mynott, R.; Tesche, B.; Vad, T.; Waldöfner, N.; Bönnemann, H. Nanoskopische Pt-Kolloide im "embryonalen Stadium". Angewandte Chemie 2002, 114, 4213–4216.

Bühl, M.; Mauschick, F. T.; Terstegen, F.; Wrackmeyer, B. Remarkably large geometry dependence of ⁵⁷Fe NMR chemical shifts. Angewandte Chemie - International Edition 2002, 41, 2312–2315.

Bühl, M.; Mauschick, F. T.; Terstegen, F.; Wrackmeyer, B. Bemerkenswert starke Geometrie-Abhängigkeit ⁵⁷Fe-chemischer Verschiebungen. Angewandte Chemie 2002, 114, 2417–2420.

Hinchley, S. L.; Trickey, P.; Robertson, H. E.; Smart, B. A.; Rankin, D. W. H.; Leusser, D.; Walfort, B.; Stalke, D.; Bühl, M.; Obrey, S. J. Bis(tert-butyl)sulfurdiimide, S(NBu^t)₂, and tris(tert-butyl)sulfurtriimide, S(NBu^t)₃: structures by gas electron diffraction, X-ray crystallography and ab initio calculations. Journal of the Chemical Society, Dalton Transactions 2002, Nr. 24, 4607–4616.

Chen, Z.; Cioslowski, J.; Moncrieff, N.; Bühl, M.; Hirsch, A.; Thiel, W. Endohedral chemical shifts in higher fullerenes with 72–86 carbon atoms. Theoretical Chemistry Accounts 2001, 106, 364–368.

Chen, Z.; Jiao, H.; Bühl, M.; Hirsch, A.; Thiel, W. Theoretical investigation into structures and magnetic properties of smaller fullerenes and their heteroanalogues. Theoretical Chemistry Accounts 2001, 106, 352–363.

Lohrenz, J. C. W.; Bühl, M.; Weber, M.; Thiel, W. A density functional study on the formation of stereoerrors in the stereoselective propene polymerization with zirconocene catalysts. Journal of Organometallic Chemistry 1999, 592, 11–21.

Brain, P. T.; Bühl, M.; Robertson, H. E.; Jackson, A. D.; Lickiss, P. D.; MacKerracher, D.; Rankin, D. W. H.; Shah, D.; Thiel, W. Structures of Ga(hfac)₃ and In(hfac)₃ (hfac = 1,1,1,5,5,5-hexafluoropentane-2,4-dionate) in the gas phase as studied by electron diffraction and ab initio calculations. Journal of the Chemical Society, Dalton Transactions 1998, Nr. 4, 545–551.

Fleischer, H.; Brain, P. T.; Rankin, D. W. H.; Robertson, H. E.; Bühl, M.; Thiel, W. Gas-phase molecular structures of bis(chloromethylsilyl)amine and bis(chloromethylsilyl)methylamine by electron diffraction and ab initio calculations; experimental support for n(N)–σ*(Si–Cl) hyperconjugation. Journal of the Chemical Society, Dalton Transactions 1998, Nr. 4, 593–600.

Bühl, M.; Patchkovskii, S.; Thiel, W. Interaction energies and NMR chemical shifts of noble gases in C₆₀. Chemical Physics Letters 1997, 275, 14–18.

Bühl, M.; Thiel, W. A Density Functional Study of the Rotational Barrier of Tricarbonyl(η⁴-norbornadiene)iron. Effect of the Torsional Angle on the Carbonyl Stretching Spectra. Inorganic Chemistry 1997, 36, 2922–29024.

Bakowies, D.; Bühl, M.; Thiel, W. A density functional study on the shape of C₁₈₀ and C₂₄₀ fullerenes. Chemical Physics Letters 1995, 247, 491–493.

Bakowies, D.; Bühl, M.; Thiel, W. Can Large Fullerenes Be Spherical? Journal of the American Chemical Society 1995, 117, 10113–10110-118.

Fleischer, H.; Hnyk, D.; Rankin, D. W. H.; Robertson, H. E.; Bühl, M.; Thiel, W. The Molecular Structures and Conformations of Bis(dichlorosilyl)amine and Bis(dichlorosilyl)methylamine in the Gas Phase: Determination by Electron Diffraction and by ab Initio Calculations. Chemische Berichte 1995, 128, 807–815.