List of Publications Prof. Dr. Irmgard Frank
2005
Frank I, Hammerl A, Klapötke TM, Nonnenberg C, Zewen H. Processes during the hypergolic ignition between monomethylhydrazine (MMH) and dinitrogen tetroxide (N2O4) in rocket engines. Propellants, Explosives, Pyrotechnics. 2005 Feb 24;30(1):44-52.
Grimm S, Bräuchle C, Frank I. Light-driven unidirectional rotation in a molecule: ROKS simulation. ChemPhysChem. 2005 Sep 5;6(9):1943-1947.
Lupton EM, Nonnenberg C, Frank I, Achenbach F, Weis J, Bräuchle C. Stretching siloxanes: An ab initio molecular dynamics study. Chemical Physics Letters. 2005 Oct 3;414(1-3):132-137.
Nonnenberg C, Bräuchle C, Frank I. Restricted open-shell Kohn-Sham theory for π-π * Transitions. III. Dynamics of aggregates. Journal of Chemical Physics. 2005;122(1). 014311.
Röhrig UF, Guidoni L, Röthlisberger U, Grimm S, Frank I, Laio A. QM/MM Simulation of the First Step of Vision. In Wagner S, Hanke W, Bode A, Durst F, editors, High Performance Computing in Science and Engineering, Munich 2004. Springer Verlag. 2005. p. 237-243. Chapter 21
2004
Nonnenberg C, Frank I, Klapötke TM. Ultrafast cold reactions in the bipropellant monomethylhydrazine/nitrogen tetroxide: CPMD simulations. Angewandte Chemie - International Edition. 2004 Sep 6;43(35):4586-4589.
Röhrig UF, Guidoni L, Laio A, Frank I, Rothlisberger U. A molecular spring for vision. Journal of the American Chemical Society. 2004 Dec 1;126(47):15328-15329.
2003
Frank I. Chemical reactions "on the fly". Angewandte Chemie - International Edition. 2003 Apr 11;42(14):1569-1571.
Grimm S, Nonnenberg C, Frank I. Restricted open-shell Kohn-Sham theory for π-π* transitions. I. Polyenes, cyanines, and protonated imines. Journal of Chemical Physics. 2003 Dec 8;119(22):11574-11584.
Nonnenberg C, Grimm S, Frank I. Restricted open-shell Kohn-Sham theory for π-π* transitions. II. Simulation of photochemical reactions. Journal of Chemical Physics. 2003 Dec 8;119(22):11585-11590.
