Search for dissertations about: "Drude oscillator model"
Found 2 swedish dissertations containing the words Drude oscillator model.
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1. Alexandria: A General Drude Polarizable Force Field with Spherical Charge Density
Abstract : Molecular-mechanical (MM) force fields are mathematical functions that map the geometry of a molecule to its associated energy. MM force fields have been extensively used for an atomistic view into the dynamic and thermodynamics of large molecular systems in their condensed phase. READ MORE
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2. Covalent functionalization of carbon nanomaterials for bioelectrochemical applications
Abstract : Carbon nanotubes (CTNs) are renowned for their exceptional electronic and mechanical properties. Their structure can be considered as rolling up a graphene sheet along a specific crystallographic direction, leading to a 1D confinement of the electronic wavefunction of the delocalized electrons along the perimeter of the cylindrical structure thus obtained. READ MORE