Sökning: "van der Waals molecules"

Visar resultat 1 - 5 av 42 avhandlingar innehållade orden van der Waals molecules.

  1. 1. van der Waals Density Functionals

    Författare :Ylva Andersson; Chalmers tekniska högskola; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; van der Waals molecules; physisorption; van der Waals interactions; density-functional theory; exchange-correlation energy; scanning-force microscopy; adhesion;

    Sammanfattning : 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. LÄS MER

  3. 2. Van der Waals Interactions in Density Functional Theory

    Författare :Erika Hult; Chalmers tekniska högskola; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; van der Waals interaction; exchange-correlation energy; adhesion; intermolecular forces; physisorption; density functional theory;

    Sammanfattning : 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. LÄS MER

  4. 3. New insights into principles of scaffolds design for bone application

    Författare :Hongji Yan; Tim Bowden; Hong Qian; Martijn van Griensven; Uppsala universitet; []
    Nyckelord :TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; Chondroitin sulfate; hyaluronic acid; pH; cross-linking chemistry; bone morphogenetic protein; lithium; mesenchymal stem cell; in vivo.; Engineering Science with specialization in Nanotechnology and Functional Materials; Teknisk fysik med inriktning mot nanoteknologi och funktionella material;

    Sammanfattning : 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. LÄS MER

  5. 4. A study of finite-size and non-perturbative effects on the van der Waals and the Casimir-Polder forces

    Författare :Thiyam Priyadarshini; Clas Persson; Mathias Boström; Thomas Ederth; KTH; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; finite-size effects; non-perturbative theory; van der Waals and Casimir Polder forces; Teknisk materialvetenskap; Materials Science and Engineering;

    Sammanfattning : 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. LÄS MER

  7. 5. Interactions of molecules and solids within the density-functional theory

    Författare :Ylva Andersson; Chalmers tekniska högskola; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; exchange-correlation energy; heteroepitaxy; effective-medium theory; van der Waals interactions; total energy; density-functional theory;

    Sammanfattning : .... LÄS MER