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Search for "molecular dynamics" in Full Text gives 178 result(s) in Beilstein Journal of Nanotechnology.

Influence of water on the properties of an Au/Mpy/Pd metal/molecule/metal junction

  • Jan Kučera and
  • Axel Groß

Beilstein J. Nanotechnol. 2011, 2, 384–393, doi:10.3762/bjnano.2.44

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  • for the stability in the water complex. Ab initio molecular dynamics simulations showed that at room temperature the hexagonal water bilayer structure on bulk metal surfaces becomes disordered [19], but it may persist on the Au/Mpy/Pd junction because of the higher stability of the H2O layer, which is
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Published 12 Jul 2011

Superhydrophobicity in perfection: the outstanding properties of the lotus leaf

  • Hans J. Ensikat,
  • Petra Ditsche-Kuru,
  • Christoph Neinhuis and
  • Wilhelm Barthlott

Beilstein J. Nanotechnol. 2011, 2, 152–161, doi:10.3762/bjnano.2.19

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  • lateral oxygen atoms which inhibit a tight package of the molecules. Thus the resulting layers have a strong curvature and form tubules with a circular cross-section (Figure 13). Today, the progress in molecular dynamics simulations enables the calculation of the behaviour of nano-structured surfaces in
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Published 10 Mar 2011

Structure, morphology, and magnetic properties of Fe nanoparticles deposited onto single-crystalline surfaces

  • Armin Kleibert,
  • Wolfgang Rosellen,
  • Mathias Getzlaff and
  • Joachim Bansmann

Beilstein J. Nanotechnol. 2011, 2, 47–56, doi:10.3762/bjnano.2.6

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  • far from thermal equilibrium forming due to the complex landing kinetics of the smaller particles which are connected with the spontaneous reorientation process. Recent molecular-dynamics (MD) simulations give microscopic insight into the processes in nanoparticle deposition experiments [65]. In
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Published 21 Jan 2011
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