Bühl, M., S. Grigoleit, H. Kabrede and F. T. Mauschick: Simulation of 59Co NMR chemical shifts in aqueous solution. In: Chemistry-A European Journal 12, 477-488 (2006).
Bühl, M., A. Chaumont, R. Schurhammer and G. Wipff: Ab initio molecular dynamics of liquid 1,3-dimethylimidazolium chloride. In: Journal of Physical Chemistry B 109, 39, 18591-18599 (2005).
Grigoleit, S. and M. Bühl: Computational 59Co NMR spectroscopy: Beyond static molecules. In: Journal of Chemical Theory and Computation 1, 2, 181-193 (2005).
Ramalho, T. C., M. Bühl, J. D. Figueroa-Villar and R. Bicca de Alencastro: Computational NMR spectroscopy of transition-metal/nitroimidazole complexes: Theoretical investigation of potential radiosensitizers. In: Helvetica Chimica Acta 88, 10, 2705-2721 (2005).
Bühl, M., D. Hnyk and J. Machaček: Computational study of structures and properties of metallaboranes: Cobalt bis(dicarbollide). In: Chemistry-A European Journal 11, 4109-4120 (2005).
Bühl, M., R. Diss and G. Wipff: Coordination environment of aqueous uranyl(VI) ion. In: Journal of the American Chemical Society 127, 39, 13506-13507 (2005).
Bühl, M.: Molecular dynamics of a vanadate-dipeptide complex in aqueous solution. In: Inorganic Chemistry 44, 18, 6277-6283 (2005).
Bühl, M. and S. Grigoleit: Molecular dynamics of neutral and protonated ferrocene". In: Organometallics 24, 7, 1516-1527 (2005).
Ramalho, T. C. and M. Bühl: Probing NMR parameters, structure and dynamics of 5-nitroimidazole derivatives. Density functional study of prototypical radiosensitizers. In: Magnetic Resonance in Chemistry 43, 2, 139-146 (2005).
Stambuli, J. P., C. D. Incarvito, M. Bühl and J. F. Hartwig: Synthesis, structure, theoretical studies, and ligand exchange reactions of monomeric, T-shaped arylpalladium(II) halide complexes with an additional, weak agostic interaction. In: Journal of the American Chemical Society 126, 4, 1184-1194 (2004).
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