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 12, pp. 477 - 488 (2006)

Bühl, M.; Grigoleit, S.: Molecular dynamics of neutral and protonated ferrocene". Organometallics 24 (7), pp. 1516 - 1527 (2005)

Grigoleit, S.; Bühl, M.: Computational ⁵⁹Co NMR spectroscopy: Beyond static molecules. Journal of Chemical Theory and Computation 1 (2), pp. 181 - 193 (2005)

Grigoleit, S.; Bühl, M.: Thermal effects and vibrational corrections to transition metal NMR chemical shifts. Chemistry-A European Journal 10 (21), pp. 5541 - 5552 (2004)