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 124 (27), S. 8078 - 8084 (2002)

Bühl, M.: Density functional computation of ⁵⁵Mn NMR parameters. Theoretical Chemistry Accounts 107 (6), S. 336 - 342 (2002)

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 124 (16), S. 4473 - 4480 (2002)

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 8 (7), S. 1649 - 1662 (2002)

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 648 (1-2), S. 126 - 133 (2002)

Angermund, K.; Bühl, M.; Dinjus, E.; Endruschat, U.; Gassner, F.; Haubold, H. G.; Hormes, J.; Köhl, G.; Mauschick, F. T.; Modrow, H. et al.; Mörtel, R.; Mynott, R.; Tesche, B.; Vad, T.; Waldöfner, N.; Bönnemann, H.: Nanoscopic Pt colloids in the "embryonic state". Angewandte Chemie - International Edition 41 (21), S. 4041 - 4044 (2002)

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

Bühl, M.; Mauschick, F. T.; Terstegen, F.; Wrackmeyer, B.: Remarkably large geometry dependence of ⁵⁷Fe NMR chemical shifts. Angewandte Chemie - International Edition 41 (13), S. 2312 - 2315 (2002)

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

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 (24), S. 4607 - 4616 (2002)

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 106 (5), S. 364 - 368 (2001)

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 106 (5), S. 352 - 363 (2001)

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 592 (1), S. 11 - 21 (1999)

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 (4), S. 545 - 551 (1998)

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 (4), S. 593 - 600 (1998)

Bühl, M.; Patchkovskii, S.; Thiel, W.: Interaction energies and NMR chemical shifts of noble gases in C₆₀. Chemical Physics Letters 275 (1-2), S. 14 - 18 (1997)

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 36 (13), S. 2922 - 29024 (1997)

Bakowies, D.; Bühl, M.; Thiel, W.: A density functional study on the shape of C₁₈₀ and C₂₄₀ fullerenes. Chemical Physics Letters 247 (4-6), S. 491 - 493 (1995)

Bakowies, D.; Bühl, M.; Thiel, W.: Can Large Fullerenes Be Spherical? Journal of the American Chemical Society 117 (40), S. 10113 - 10-118 (1995)

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 128 (8), S. 807 - 815 (1995)