Publications of 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, No. 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, No. 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, No. 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.