InstitutePeopleIrmgard Frank
List of publications

List of Publications Prof. Dr. Irmgard Frank


Showing entries 41 - 50 out of 88
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2010


Rössle S, Friedrichs J, Frank I. The formation of DNA photodamage: The role of exciton localization. ChemPhysChem. 2010 Jun 21;11(9):2011-2015.

doi.org/10.1002/cphc.201000081

Schulte M, Frank I. Restricted open-shell Kohn-Sham theory: N unpaired electrons. Chemical Physics. 2010 Aug 3;373(3):283-288.

doi.org/10.1016/j.chemphys.2010.05.031


2009


Frank I, Friedrichs J. Mechanostereochemistry: Breaking the rules. Nature Chemistry. 2009 Jul;1(4):264-265.

doi.org/10.1038/nchem.266

Frank I, Hofbauer F. Single-molecule mechanics: Breaking bonds at a stretch. Nature Chemistry. 2009 Jun;1(3):180-181.

doi.org/10.1038/nchem.225

Friedrichs J, Frank I. Mechanism of electrocyclic ring-opening of diphenyloxirane: 40 Years after Woodward and Hoffmann. Chemistry - A European Journal. 2009 Oct 19;15(41):10825-10829.

doi.org/10.1002/chem.200901152

Lupton EM, Achenbach F, Weis J, Bräuchle C, Frank I. Origins of material failure in siloxane elastomers from first principles. ChemPhysChem. 2009 Jan 12;10(1):119-123.

doi.org/10.1002/cphc.200800094

Lupton EM, Frank I. 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. Kluwer Academic Publishers. 2009. p. 165-172. (High Performance Computing in Science and Engineering, Garching/Munich 2007 - Transactions of the 3rd Joint HLRB and KONWIHR Status and Result Workshop).

doi.org/10.1007/978-3-540-69182-2_13

Rossle SC, Frank I. First-principles simulation of photoreactions in biological systems. Frontiers in Bioscience. 2009 Jun 1;14(13):4862-4877.

doi.org/10.2741/3574


2008


Frank I, Damianos K. Excited state dynamics in pyrrole-water clusters: First-principles simulation. Chemical Physics. 2008 Jan 29;343(2-3):347-352.

doi.org/10.1016/j.chemphys.2007.08.029

Friedrichs J, Damianos K, Frank I. Solving restricted open-shell equations in excited state molecular dynamics simulations. Chemical Physics. 2008 May 23;347(1-3):17-24.

doi.org/10.1016/j.chemphys.2007.09.035


Showing entries 41 - 50 out of 88
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