List of Publications Prof. Dr. Irmgard Frank
Showing results 61 - 70 out of 97
2008
Jung C, Kirstein J, Platschek B, Bein T, Budde M, Frank I et al. Diffusion of oriented single molecules with switchable mobility in networks of long unidimensional nanochannels. Journal of the American Chemical Society. 2008 Feb 6;130(5):1638-1648. Epub 2008 Jan 15. doi: 10.1021/ja075927e
Nonnenberg C, Frank I. Formation and decay of tetrazane derivatives: A Car-Parrinello molecular dynamics study. Physical Chemistry Chemical Physics. 2008 Jun 19;10(30):4383-4392. doi: 10.1039/b715740a
Schulte M, Frank I. Restricted Open-Shell Kohn-Sham Theory IV: Expressions for N Unpaired Electrons. 2008 Aug 8. Epub 2008 Aug 8.
2007
Frank I, Damianos K. Restricted open-shell Kohn-Sham theory: Simulation of the pyrrole photodissociation. Journal of Chemical Physics. 2007 Mar 27;126(12):125105. doi: 10.1063/1.2711188
Grimm S, Tabatabai D, Scherer A, Michaelis J, Frank I. Chromophore localization in conjugated polymers: Molecular dynamics simulation. Journal of Physical Chemistry B. 2007 Oct 25;111(42):12053-12058. Epub 2007 Oct 4. doi: 10.1021/jp072032f
Lupton EM, Achenbach F, Weis J, Bräuchle C, Frank I. Molecular origins of adhesive failure: Siloxane elastomers pulled from a silica surface. Physical Review B - Condensed Matter and Materials Physics. 2007 Sept 18;76(12):125420. doi: 10.1103/PhysRevB.76.125420
2006
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
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. doi: 10.1002/prep.200400084
