Publications of Michael Bühl

Bühl, M.; Thiel, W.; Schneider, U.: Magnetic Properties of C₆₀H₃₆ Isomers. Journal of the American Chemical Society 117 (16), pp. 4623 - 4627 (1995)

Bühl, M.; Thiel, W.; Fleischer, U.; Kutzelnigg, W.: Ab Initio Computation of ⁷⁷Se NMR Chemical Shifts with the IGLO-SCF, the GIAO-SCF, and the GIAO-MP2 Methods. The Journal of Physical Chemistry 99 (12), pp. 4000 - 4007 (1995)

Bühl, M.; Thiel, W.: Ab initio helium NMR chemical shifts of endohedral fullerene compounds He@C_n (n = 32−180). Chemical Physics Letters 233 (5-6), pp. 585 - 589 (1995)

Bühl, M.; Thiel, W.; Jiao, H.; Schleyer, P. v. R.; Saunders, M.; Anet, F. A. L.: Helium and Lithium NMR Chemical Shifts of Endohedral Fullerene Compounds: An ab Initio Study. Journal of the American Chemical Society 116 (13), pp. 6005 - 6006 (1994)

Bühl, M.: Speciation of peroxovanadium(V) complexes studied by first-principles molecular dynamics simulations and ⁵¹V NMR chemical shift computations. In: Vanadium: The Versatile Metal, pp. 312 - 322 (Eds. Kustin, K.; Costa Pessoa, J.; Crans, D.C.). American Chemical Society, Washington (2007)

Rehder, D.; Polenova, T.; Bühl, M.: Vanadium-51 NMR. In: Annual Reports on NMR Spectoscopy, pp. 49 - 114 (Ed. Webb, G. A.). Elsevier, Oxford (2007)

Bühl, M.: NMR of Transition Metal Compounds. In: Calculation of NMR and EPR Parameters - Theory and Applications, pp. 421 - 432 (Eds. Kaupp, M.; Bühl, M.; Malkin, V. G.). Wiley-VCH, Weinheim (2004)

Bühl, M.; Schurhammer, R.; Imhof, P.: Theoretical Studies of Structures of Vanadium Complexes: Reactivities and ⁵¹V NMR Chemical Shifts in Solution. In: High Performance Computing in Science and Engineering, Munich 2004, pp. 189 - 198 (Eds. Wagner, S.; Handke, W.; Bode, A.; Durst, F.). Springer-Verlag, Berlin (2004)

Bühl, M.; Mauschick, F. T.; Schurhammer, R.: Theoretical Studies of Structures of Vanadate Complexes in Aqueous Solution. In: High Performance Computing in Science and Engineering, pp. 189 - 199 (Eds. Wagner, S.; Hanke, W.; Bode, A.; Durst, F.). Springer-Verlag, Berlin (2003)

Bakowies, D.; Bühl, M.; Patchkovskii, S.; Thiel, W.: Theoretical Studies on Giant Fullerenes and on Endohedral Fullerene Complexes. In: Proceedings of the Symposium on Recent Advances in the Chemistry and Physics of Fullerenes and Related Materials, Vol. 3, Vol. 3 (Eds. Kadish, K. M.; Ruoff, R. S.). The Electrochemical Society, Inc., Pennington, NJ (1996)