Showing results 41 - 50 out of 91
2011
Schulte, M., & Frank, I. (2011). Car-Parrinello simulations of Prussian blue: Structure, dynamics, and electronic properties. Journal of Physical Chemistry C, 115(28), 13560-13565. Advance online publication. https://doi.org/10.1021/jp1110696
2010
Damianos, K., & Frank, I. (2010). Car-parrinello molecular dynamics study of the thermal decomposition of sodium fulminate. Chemistry - A European Journal, 16(27), 8041-8046. Advance online publication. https://doi.org/10.1002/chem.200903076
Friedrichs, J., Lüßmann, M., & Frank, I. (2010). Conservation of Orbital Symmetry can be Circumvented in Mechanically Induced Reactions. ChemPhysChem, 11(15), 3339-3342. Advance online publication. https://doi.org/10.1002/cphc.201000460
Hofbauer, F., & Frank, I. (2010). Disulfide bond cleavage: A redox reaction without electron transfer. Chemistry - A European Journal, 16(17), 5097-5101. Advance online publication. https://doi.org/10.1002/chem.200902831, https://doi.org/10.1002/chem.201103124
Rössle, S., Friedrichs, J., & Frank, I. (2010). The formation of DNA photodamage: The role of exciton localization. ChemPhysChem, 11(9), 2011-2015. Advance online publication. https://doi.org/10.1002/cphc.201000081
Schulte, M., & Frank, I. (2010). Restricted open-shell Kohn-Sham theory: N unpaired electrons. Chemical Physics, 373(3), 283-288. Advance online publication. https://doi.org/10.1016/j.chemphys.2010.05.031
2009
Frank, I., & Friedrichs, J. (2009). Mechanostereochemistry: Breaking the rules. Nature Chemistry, 1(4), 264-265. https://doi.org/10.1038/nchem.266
Frank, I., & Hofbauer, F. (2009). Single-molecule mechanics: Breaking bonds at a stretch. Nature Chemistry, 1(3), 180-181. Advance online publication. https://doi.org/10.1038/nchem.225
Friedrichs, J., & Frank, I. (2009). Mechanism of electrocyclic ring-opening of diphenyloxirane: 40 Years after Woodward and Hoffmann. Chemistry - A European Journal, 15(41), 10825-10829. Advance online publication. https://doi.org/10.1002/chem.200901152
Lupton, E. M., Achenbach, F., Weis, J., Bräuchle, C., & Frank, I. (2009). Origins of material failure in siloxane elastomers from first principles. ChemPhysChem, 10(1), 119-123. Advance online publication. https://doi.org/10.1002/cphc.200800094
