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2009
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. Vorabveröffentlichung online. 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. Vorabveröffentlichung online. https://doi.org/10.1016/j.chemphys.2007.09.035
Jung, C., Kirstein, J., Platschek, B., Bein, T., Budde, M., Frank, I., Müllen, K., Michaelis, J., & Bräuchle, C. (2008). Diffusion of oriented single molecules with switchable mobility in networks of long unidimensional nanochannels. Journal of the American Chemical Society, 130(5), 1638-1648. Vorabveröffentlichung online. https://doi.org/10.1021/ja075927e
Nonnenberg, C., & Frank, I. (2008). Formation and decay of tetrazane derivatives: A Car-Parrinello molecular dynamics study. Physical Chemistry Chemical Physics, 10(30), 4383-4392. https://doi.org/10.1039/b715740a
Schulte, M., & Frank, I. (2008). Restricted Open-Shell Kohn-Sham Theory IV: Expressions for N Unpaired Electrons. Vorabveröffentlichung online. https://arxiv.org/abs/0808.1190
2007
Frank, I., & Damianos, K. (2007). Restricted open-shell Kohn-Sham theory: Simulation of the pyrrole photodissociation. Journal of Chemical Physics, 126(12), Artikel 125105. https://doi.org/10.1063/1.2711188
Grimm, S., Tabatabai, D., Scherer, A., Michaelis, J., & Frank, I. (2007). Chromophore localization in conjugated polymers: Molecular dynamics simulation. Journal of Physical Chemistry B, 111(42), 12053-12058. Vorabveröffentlichung online. https://doi.org/10.1021/jp072032f
Lupton, E. M., Achenbach, F., Weis, J., Bräuchle, C., & Frank, I. (2007). Molecular origins of adhesive failure: Siloxane elastomers pulled from a silica surface. Physical Review B - Condensed Matter and Materials Physics, 76(12), Artikel 125420. https://doi.org/10.1103/PhysRevB.76.125420
