Publications of S. Grigoleit

Bühl, M.; Grigoleit, S.; Kabrede, H.; Mauschick, F. T. Simulation of ⁵⁹Co NMR Chemical Shifts in Aqueous Solution. Chemistry-A European Journal 2006, 12, 477–488.

Bühl, M.; Grigoleit, S. Molecular Dynamics of Neutral and Protonated Ferrocene". Organometallics 2005, 24, 1516–1527.

Grigoleit, S.; Bühl, M. Computational ⁵⁹Co NMR Spectroscopy: Beyond Static Molecules. Journal of Chemical Theory and Computation 2005, 1, 181–193.

Grigoleit, S.; Bühl, M. Thermal Effects and Vibrational Corrections to Transition Metal NMR Chemical Shifts. Chemistry-A European Journal 2004, 10, 5541–5552.