Showing results 71 - 80 out of 97
2005
Grimm, S., Bräuchle, C., & Frank, I. (2005). Light-driven unidirectional rotation in a molecule: ROKS simulation. ChemPhysChem, 6(9), 1943-1947. https://doi.org/10.1002/cphc.200400529
Lupton, E. M., Nonnenberg, C., Frank, I., Achenbach, F., Weis, J., & Bräuchle, C. (2005). Stretching siloxanes: An ab initio molecular dynamics study. Chemical Physics Letters, 414(1-3), 132-137. https://doi.org/10.1016/j.cplett.2005.07.118
Nonnenberg, C., Bräuchle, C., & Frank, I. (2005). Restricted open-shell Kohn-Sham theory for π-π * Transitions. III. Dynamics of aggregates. Journal of Chemical Physics, 122(1), Article 014311. https://doi.org/10.1063/1.1829053
Röhrig, U. F., Guidoni, L., Röthlisberger, U., Grimm, S., Frank, I., & Laio, A. (2005). QM/MM Simulation of the First Step of Vision. In S. Wagner, W. Hanke, A. Bode, & F. Durst (Eds.), High Performance Computing in Science and Engineering, Munich 2004 (pp. 237-243). Article Chapter 21 Springer Verlag. https://doi.org/10.1007/3-540-26657-7_21
2004
Nonnenberg, C., Frank, I., & Klapötke, T. M. (2004). Ultrafast cold reactions in the bipropellant monomethylhydrazine/nitrogen tetroxide: CPMD simulations. Angewandte Chemie - International Edition, 43(35), 4586-4589. https://doi.org/10.1002/anie.200454093
Röhrig, U. F., Guidoni, L., Laio, A., Frank, I., & Rothlisberger, U. (2004). A molecular spring for vision. Journal of the American Chemical Society, 126(47), 15328-15329. https://doi.org/10.1021/ja048265r
2003
Frank, I. (2003). Chemical reactions "on the fly". Angewandte Chemie - International Edition, 42(14), 1569-1571. https://doi.org/10.1002/anie.200201605
Grimm, S., Nonnenberg, C., & Frank, I. (2003). Restricted open-shell Kohn-Sham theory for π-π* transitions. I. Polyenes, cyanines, and protonated imines. Journal of Chemical Physics, 119(22), 11574-11584. https://doi.org/10.1063/1.1623742
Nonnenberg, C., Grimm, S., & Frank, I. (2003). Restricted open-shell Kohn-Sham theory for π-π* transitions. II. Simulation of photochemical reactions. Journal of Chemical Physics, 119(22), 11585-11590. https://doi.org/10.1063/1.1623743
Röhrig, U. F., Troppmann, U., & Frank, I. (2003). Organic chromophores under tensile stress. Chemical Physics, 289(2-3), 381-388. https://doi.org/10.1016/S0301-0104(03)00085-5
