Sökning: "Molecular Crystals"
Visar resultat 1 - 5 av 201 avhandlingar innehållade orden Molecular Crystals.
1. Molecular Electronics : A Theoretical Study of Electronic Structure of Bulk and Interfaces
Sammanfattning : This thesis deals with theoretical studies of the electronic structure of molecules used in the context of molecular electronics. Both studies with model Hamiltonians and first principle calculations have been performed. LÄS MER
2. Theoretical Description of the Electron-Lattice Interaction in Molecular and Magnetic Crystals
Sammanfattning : Electron-lattice interactions are often considered not to play a major role in material's properties as they are assumed to be small, the second-order effects. However, this study shows the importance of taking these effects into account in the simulations. LÄS MER
3. Bound by long-range interactions: Molecular crystals and benzene on Cu(111)
Sammanfattning : This thesis investigates molecular systems bound by long-range interactions. Westudy molecular crystals held together by van der Waals forces and the physisorption of benzene (Bz) on Cu(111). LÄS MER
4. Molecular Dynamics Simulations of Biomimetic Carbohydrate Materials
Sammanfattning : The present thesis honors contemporary molecular dynamics simulation methodologies which provide powerful means to predict data, interpret observations and widen our understanding of the dynamics, structures and interactions of carbohydrate systems. With this as starting point my thesis work embarked on several cutting edge problems summarized as follows. LÄS MER
5. Complex Oxide Photonic Crystals
Sammanfattning : Microphotonics has been offering a body of ideas to prospective applicationsin optics. Among those, the concept of photonic integrated circuits (PIC’s) has recently spurred a substantial excitement into the scientific community. Relisation of the PIC’s becomes feasible as the size shrinkage of the optical elements is accomplished. LÄS MER