Publications obtained by using VSC

Here are the scientific Publications of the various Projects on the VSC, while a collection of interesting articles for the general audience can be found in the main menu at Presscorner.

460 entries found
with the tags: Universität Wien x
  • Szymczak Jaroslaw J., Mueller Thomas, Lischka Hans
    The effect of hydration on the photo-deactivation pathways of 4-aminopyrimidine
    CHEMICAL PHYSICS 375, 110 (2010)
  • Barbatti Mario, Pittner Jiri, Pederzoli Marek, Werner Ute, Mitric Roland, Bonacic-Koutecky Vlasta, Lischka Hans
    Non-adiabatic dynamics of pyrrole: Dependence of deactivation mechanisms on the excitation energy
    CHEMICAL PHYSICS 375, 26 (2010)
  • Nachtigallova Dana, Barbatti Mario, Szymczak Jaroslaw J., Hobza Pavel, Lischka Hans
    The photodynamics of 2,4-diaminopyrimidine in comparison with 4-aminopyrimidine: The effect of amino-substitution
    CHEMICAL PHYSICS LETTERS 497, 129 (2010)
  • Punkvang Auradee, Saparpakorn Patchreenart, Hannongbua Supa, Wolschann Peter, Berner Heinz, Pungpo Pornpan
    Insight into crucial inhibitor-enzyme interaction of arylamides as novel direct inhibitors of the enoyl ACP reductase (InhA) from Mycobacterium tuberculosis: computer-aided molecular design
    MONATSHEFTE FUR CHEMIE 141, 1029 (2010)
  • Schratzberger J., Lee J., Fuger M., Fidler J., Fiedler G., Schrefl T., Suess D.
    Validation of the transition state theory with Langevin-dynamics simulations
    JOURNAL OF APPLIED PHYSICS 108, 033915 (2010)
  • Koll A., Janski J., Karpfen A., Wolschann P.
    Bifunctional influence of 3-chloro substitution on structural and energetic characteristics of N-methyl-salicylidene imines
  • Pizorn Iztok, Verstraete Frank
    Fermionic implementation of projected entangled pair states algorithm
    PHYSICAL REVIEW B 81, 245110 (2010)
  • Karpfen Alfred, Kryachko Eugene S.
    The dimers of glyoxal and acrolein with H2O and HF: Negative intramolecular coupling and blue-shifted C-H stretch
  • Muthsam H. J., Kupka F., Loew-Baselli B., Obertscheider C., Langer M., Lenz P.
    ANTARES - A Numerical Tool for Astrophysical RESearch with applications to solar granulation
    NEW ASTRONOMY 15, 460 (2010)
  • Reith D., Podloucky R.
    First-principles model study of the phase stabilities of dilute Fe-Cu alloys: Role of vibrational free energy
    PHYSICAL REVIEW B 80, 054108 (2009)

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