Publikationen von Michael Bühl

Zeitschriftenartikel (84)

1995
Zeitschriftenartikel
Bühl, M.; Thiel, W.; Schneider, U.: Magnetic Properties of C60H36 Isomers. Journal of the American Chemical Society 117 (16), S. 4623 - 4627 (1995)
Zeitschriftenartikel
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), S. 4000 - 4007 (1995)
Zeitschriftenartikel
Bühl, M.; Thiel, W.: Ab initio helium NMR chemical shifts of endohedral fullerene compounds He@Cn (n = 32−180). Chemical Physics Letters 233 (5-6), S. 585 - 589 (1995)
1994
Zeitschriftenartikel
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), S. 6005 - 6006 (1994)

Buchkapitel (6)

2007
Buchkapitel
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, S. 312 - 322 (Hg. Kustin, K.; Costa Pessoa, J.; Crans, D.C.). American Chemical Society, Washington (2007)
Buchkapitel
Rehder, D.; Polenova, T.; Bühl, M.: Vanadium-51 NMR. In: Annual Reports on NMR Spectoscopy, S. 49 - 114 (Hg. Webb, G. A.). Elsevier, Oxford (2007)
2004
Buchkapitel
Bühl, M.: NMR of Transition Metal Compounds. In: Calculation of NMR and EPR Parameters - Theory and Applications, S. 421 - 432 (Hg. Kaupp, M.; Bühl, M.; Malkin, V. G.). Wiley-VCH, Weinheim (2004)
Buchkapitel
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, S. 189 - 198 (Hg. Wagner, S.; Handke, W.; Bode, A.; Durst, F.). Springer-Verlag, Berlin (2004)
2003
Buchkapitel
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, S. 189 - 199 (Hg. Wagner, S.; Hanke, W.; Bode, A.; Durst, F.). Springer-Verlag, Berlin (2003)
1996
Buchkapitel
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, Bd. 3 (Hg. Kadish, K. M.; Ruoff, R. S.). The Electrochemical Society, Inc., Pennington, NJ (1996)
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