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 1995, 117, 4623–4627.
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 1995, 99, 4000–4007.
Zeitschriftenartikel
Bühl, M.; Thiel, W. Ab initio helium NMR chemical shifts of endohedral fullerene compounds He@Cn (n = 32−180). Chemical Physics Letters 1995, 233, 585–589.
1994
Zeitschriftenartikel
Bühl, M.; Thiel, W.; Jiao, H.; Schleyer, P. von 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 1994, 116, 6005–6006.

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