Search for dissertations about: "van der Waals molecules"
Showing result 1 - 5 of 41 swedish dissertations containing the words van der Waals molecules.
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1. van der Waals Density Functionals
Abstract : Methods using local or semi local approximations (LDA, GGA etc.) for the exchange-correlation energy in the density-functional theory (DFT) do not include van der Waals interactions. READ MORE
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2. Van der Waals Interactions in Density Functional Theory
Abstract : Density functional theory is a very important method for calculating ground-state properties for atoms, molecules and solids. Albeit exact in principle, its implementation requires an approximation for the so-called exchange-correlation energy. READ MORE
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3. New insights into principles of scaffolds design for bone application
Abstract : This thesis presents deeper insights into bone applicable biomaterials’ design. Poor affinity of BMP-2 towards scaffolds required supra-physiological dose administration. Though molecules containing sulfate could sustain BMP-2 release, side effects occurred due to BMP-2 supra-dose, or these sulfate-containing biomolecules. READ MORE
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4. A study of finite-size and non-perturbative effects on the van der Waals and the Casimir-Polder forces
Abstract : This licentiate thesis addresses two important aspects of the van der Waals and the Casimir-Polder ground-state and excited-state (resonance) interactions between two atoms or molecules. The first is the finite-size effect and the second is the non-perturbative effect. READ MORE
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5. Interactions of molecules and solids within the density-functional theory
Abstract : .... READ MORE