Search for dissertations about: "Dispersion forces"
Showing result 1 - 5 of 50 swedish dissertations containing the words Dispersion forces.
-
1. First-principles calculations of long-range intermolecular dispersion forces
Abstract : This work presents first-principles calculations of long-range intermolecular dispersion energies between two atoms or molecules as expressed in terms of the C6 dipole-dipole dispersion coefficients. In a series of publications, it has been shown by us that the complex linear polarization propagator method provides accurate ab initio and first-principles density functional theory values of the C6 dispersion coefficients in comparison with those reported in the literature. READ MORE
-
2. Long-range intermolecular dispersion forces and circular dichroism spectra from first-principles calculations
Abstract : This work presents first-principles calculations of long-range intermolecular dispersion energies between two atoms or molecules and of electronic circular dichroism spectra of chiral molecules. The former is expressed in terms of the C6 dipole-dipole dispersion coefficients Δε, and the latter is given in terms of the extinction coefficient. READ MORE
-
3. Simulations of Simple Fluids and Surface Forces
Abstract : A considerable part of all chemistry in nature and in industry occurs in solvents. Sol- vents affect both the interactions and the reactions of the particles immersed in them. The work in this thesis concerns the properties of ionic and polar solvents, as well as the interactions between solutes and/or dispersed particles. READ MORE
-
4. Galectin-3 Ligand Binding: Mechanism and Driving Forces
Abstract : .... READ MORE
-
5. Theoretical Investigations of the Role of Ion-Ion Correlations and Ion-Specific Interactions in Electric Double Layers
Abstract : Electric double layers are ubiquitous, arising in some form in almost every situation involving an interface with an aqueous electrolyte solution. In order to gain insight into the behavior of electrolytes and electric double layers, simple models of bulk and inhomogeneous electrolyte solutions are considered in this thesis. READ MORE
