Sökning: "Mechanical unfolding"

Visar resultat 11 - 12 av 12 avhandlingar innehållade orden Mechanical unfolding.

1. 11. Towards First-Principles Understanding of Biomolecular Adsorption

   Författare :Svetla Chakarova Käck; Chalmers tekniska högskola; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; DFT; phenol; adenine; graphite; biomolecules; van der Waals interactions; denaturation; protein; lattice models; PAH dimers; adsorption;

   Sammanfattning : A fundamental understanding of the interactions of biomolecules, such as proteins and DNA, with surfaces is of immense importance in numerous applications and poses a true challenge for theory. Density functional theory (DFT) is a quantum-mechanical tool well established for its ability to balance large system size with good accuracy in first-principles studies. LÄS MER

3. 12. Lattice dynamics : From fundamental research to practical applications

   Författare :Johan Tidholm; Igor A. Abrikosov; Olle Hellman; Ferenc Tasnadi; Gerd Steinle-Neumann; Linköpings universitet; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES;

   Sammanfattning : The reason to perform calculations in material science usually falls into one of two categories: to predict or explain the origin of material properties. This thesis covers first-principle calculations for solids at extreme conditions, from both of the two mentioned categories. LÄS MER