Publikationen von Michael Bühl
Alle Typen
Zeitschriftenartikel (84)
1995
Zeitschriftenartikel
117 (16), S. 4623 - 4627 (1995)
Magnetic Properties of C60H36 Isomers. Journal of the American Chemical Society
Zeitschriftenartikel
99 (12), S. 4000 - 4007 (1995)
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
Zeitschriftenartikel
233 (5-6), S. 585 - 589 (1995)
Ab initio helium NMR chemical shifts of endohedral fullerene compounds He@Cn (n = 32−180). Chemical Physics Letters 1994
Zeitschriftenartikel
116 (13), S. 6005 - 6006 (1994)
Helium and Lithium NMR Chemical Shifts of Endohedral Fullerene Compounds: An ab Initio Study. Journal of the American Chemical Society Buchkapitel (6)
2007
Buchkapitel
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
Vanadium-51 NMR. In: Annual Reports on NMR Spectoscopy, S. 49 - 114 (Hg. Webb, G. A.). Elsevier, Oxford (2007)
2004
Buchkapitel
Bühl, M.; Malkin, V. G.). Wiley-VCH, Weinheim (2004)
NMR of Transition Metal Compounds. In: Calculation of NMR and EPR Parameters - Theory and Applications, S. 421 - 432 (Hg. Kaupp, M.;
Buchkapitel
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
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
3 (Hg. Kadish, K. M.; Ruoff, R. S.). The Electrochemical Society, Inc., Pennington, NJ (1996)
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.