List of Publications Prof. Dr. Irmgard Frank

Showing results 61 - 70 out of 91


Frank I. Mechanically induced chemistry: New perspectives on the nanoscale. Angewandte Chemie - International Edition. 2006 Jan 30;45(6):852-854. Epub 2006 Jan 23. doi: 10.1002/anie.200504567
Lupton EM, Achenbach F, Weis J, Bräuchle C, Frank I. Modified chemistry of siloxanes under tensile stress: Interaction with environment. Journal of Physical Chemistry B. 2006 Aug 3;110(30):14557-14563. Epub 2006 Jul 13. doi: 10.1021/jp0607059
Nonnenberg C, Gaub H, Frank I. First-principles simulation of the photoreaction of a capped azobenzene: The rotational pathway is feasible. ChemPhysChem. 2006 Jul 17;7(7):1455-1461. Epub 2006 Jun 30. doi: 10.1002/cphc.200600080


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. doi: 10.1002/prep.200400084
Grimm S, Bräuchle C, Frank I. Light-driven unidirectional rotation in a molecule: ROKS simulation. ChemPhysChem. 2005 Sept 5;6(9):1943-1947. doi: 10.1002/cphc.200400529
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. Epub 2005 Sept 2. doi: 10.1016/j.cplett.2005.07.118
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. Epub 2004 Dec 14. doi: 10.1063/1.1829053
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 doi: 10.1007/3-540-26657-7_21


Nonnenberg C, Frank I, Klapötke TM. Ultrafast cold reactions in the bipropellant monomethylhydrazine/nitrogen tetroxide: CPMD simulations. Angewandte Chemie - International Edition. 2004 Sept 6;43(35):4586-4589. doi: 10.1002/anie.200454093
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. Epub 2004 Nov 6. doi: 10.1021/ja048265r