Zeige Ergebnisse 51 - 60 von 97
2010
Rössle, S., Friedrichs, J., & Frank, I. (2010). The formation of DNA photodamage: The role of exciton localization. ChemPhysChem, 11(9), 2011-2015. 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. 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. 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. 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. https://doi.org/10.1002/cphc.200800094
Lupton, E. M., & Frank, I. (2009). Probing the mechanical strength of chemical bonds by stretching single molecules. In High Performance Computing in Science and Engineering, Garching/Munich 2007 - Transactions of the 3rd Joint HLRB and KONWIHR Status and Result Workshop (S. 165-172). (High Performance Computing in Science and Engineering, Garching/Munich 2007 - Transactions of the 3rd Joint HLRB and KONWIHR Status and Result Workshop). Kluwer Academic Publishers. https://doi.org/10.1007/978-3-540-69182-2_13
Rossle, S. C., & Frank, I. (2009). First-principles simulation of photoreactions in biological systems. Frontiers in Bioscience, 14(13), 4862-4877. https://doi.org/10.2741/3574
2008
Frank, I., & Damianos, K. (2008). Excited state dynamics in pyrrole-water clusters: First-principles simulation. Chemical Physics, 343(2-3), 347-352. https://doi.org/10.1016/j.chemphys.2007.08.029
Friedrichs, J., Damianos, K., & Frank, I. (2008). Solving restricted open-shell equations in excited state molecular dynamics simulations. Chemical Physics, 347(1-3), 17-24. https://doi.org/10.1016/j.chemphys.2007.09.035
