Sökning: "Force fields"
Visar resultat 1 - 5 av 177 avhandlingar innehållade orden Force fields.
1. Microwave Breakdown in Inhomogeneous Fields
Sammanfattning : Microwave breakdown continues to be a risk in many applications involving the transmission and reception of microwave frequency signals. Satellite communication is especially interesting from the research point of view because of the extreme costs, and limited testing possibilities. LÄS MER
2. Fighting microbial infections with force fields: Evaluating conformational ensembles of intrinsically disordered proteins
Sammanfattning : The main goal of this compilation thesis has been to investigate the conformational ensemble of the intrinsically disordered protein (IDP) histatin 5 by using a mixture of experimental and computational techniques including, but not limited to, small-angle X-ray scattering (SAXS), circular dichroism (CD) spectroscopy, atomistic molecular dynamics (MD) simulations, and coarse-grained Monte Carlo (MC) simulations. Histatin 5 is a peptide of particular interest for two reasons. LÄS MER
3. Electric Fields for Surface Design and Chemical Analysis
Sammanfattning : This thesis deals with the use of electric fields for evaluation and control of chemical systems. An electric field can result in the flow of charge across an interface between a metal and a solution, by means of chemical reactions. This interplay between electricity and chemistry, i.e. LÄS MER
4. Microwave Gas and Multipactor Breakdown in Inhomogeneous Fields
Sammanfattning : Microwave gas and multipactor breakdown remains to be one of the limiting factors for the maximum power in microwave devices. Above a certain electric field strength, the so-called breakdown threshold, free electrons can multiply by making ionizing impacts with neutral gas molecules, or causing secondary emission upon impact with system surfaces. LÄS MER
5. Accurate Force Fields for Spectroscopic Studies of Protein–Ligand Interactions and Self-Assembly Structures
Sammanfattning : The computational prediction of complex molecular behaviors is an essen- tial component of modern chemistry, as it provides a faster and more cost- effective way to explore molecular interactions that may be difficult or even impossible to study experimentally. Molecular dynamics (MD) simulations of- ten serve as a valuable tool for such predictions; however, their accuracy is inherently dependent on the force field (FF) parameters employed. LÄS MER