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Research Group Frank

Organisational unit: Research Group

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Publications

  1. 2010
  2. Published

    Car-parrinello molecular dynamics study of the thermal decomposition of sodium fulminate

    Damianos, K. & Frank, I., 19 Jul 2010, In: Chemistry - A European Journal. 16, 27, p. 8041-8046 6 p.

    Research output: Contribution to journal › Article › Research › peer review

  3. Published

    The formation of DNA photodamage: The role of exciton localization

    Rössle, S., Friedrichs, J. & Frank, I., 21 Jun 2010, In: ChemPhysChem. 11, 9, p. 2011-2015 5 p.

    Research output: Contribution to journal › Article › Research › peer review

  4. Published

    Disulfide bond cleavage: A redox reaction without electron transfer

    Hofbauer, F. & Frank, I., 3 May 2010, In: Chemistry - A European Journal. 16, 17, p. 5097-5101 5 p.

    Research output: Contribution to journal › Article › Research › peer review

  5. 2009
  6. Published

    Mechanism of electrocyclic ring-opening of diphenyloxirane: 40 Years after Woodward and Hoffmann

    Friedrichs, J. & Frank, I., 19 Oct 2009, In: Chemistry - A European Journal. 15, 41, p. 10825-10829 5 p.

    Research output: Contribution to journal › Article › Research › peer review

  7. Published

    Mechanostereochemistry: Breaking the rules

    Frank, I. & Friedrichs, J., Jul 2009, In: Nature Chemistry. 1, 4, p. 264-265 2 p.

    Research output: Contribution to journal › Article › Research › peer review

  8. Published

    Single-molecule mechanics: Breaking bonds at a stretch

    Frank, I. & Hofbauer, F., Jun 2009, In: Nature Chemistry. 1, 3, p. 180-181 2 p.

    Research output: Contribution to journal › Article › Research › peer review

  9. Published

    Origins of material failure in siloxane elastomers from first principles

    Lupton, E. M., Achenbach, F., Weis, J., Bräuchle, C. & Frank, I., 12 Jan 2009, In: ChemPhysChem. 10, 1, p. 119-123 5 p.

    Research output: Contribution to journal › Article › Research › peer review

  10. Published

    Probing the mechanical strength of chemical bonds by stretching single molecules

    Lupton, E. M. & Frank, I., 2009, 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, p. 165-172 8 p. (High Performance Computing in Science and Engineering, Garching/Munich 2007 - Transactions of the 3rd Joint HLRB and KONWIHR Status and Result Workshop).

    Research output: Chapter in book/report/conference proceeding › Conference contribution › Research › peer review

  11. 2008
  12. E-pub ahead of print

    Restricted Open-Shell Kohn-Sham Theory IV: Expressions for N Unpaired Electrons

    Schulte, M. & Frank, I., 8 Aug 2008, (E-pub ahead of print).

    Research output: Working paper/Preprint › Preprint

  13. Published

    Formation and decay of tetrazane derivatives: A Car-Parrinello molecular dynamics study

    Nonnenberg, C. & Frank, I., 19 Jun 2008, In: Physical Chemistry Chemical Physics. 10, 30, p. 4383-4392 10 p.

    Research output: Contribution to journal › Article › Research › peer review

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