Search for dissertations about: "molecular dynamics simulations"
Showing result 21 - 25 of 418 swedish dissertations containing the words molecular dynamics simulations.
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21. Beyond Köhler theory : Molecular dynamics simulations as a tool for atmospheric science
Abstract : In this thesis, the results from molecular dynamics (MD) simulations of nanoaerosol clusters are discussed. The connecting link of these studies is the Köhler theory, which is the theory of condensational growth and activation of cloud droplets to form clouds. READ MORE
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22. Molecular-dynamics simulations of polymeric surfaces for biomolecular applications
Abstract : In-vitro diagnostics plays a very important role in the present healthcare system. It consists of a large variety of medical devices designed to diagnose a medical condition by measuring a target molecule in a sample, such as blood or urine. READ MORE
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23. Computational Analysis of Molecular Recognition Involving the Ribosome and a Voltage Gated K+ Channel
Abstract : Over the last few decades, computer simulation techniques have been established as an essential tool for understanding biochemical processes. This thesis deals mainly with the application of free energy calculations to ribosomal complexes and a cardiac ion channel. READ MORE
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24. Molecular dynamics simulations of intermolecular mechanisms in nuclear spin relaxation
Abstract : .... READ MORE
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25. Numerical simulation of the dynamics of a trapped molecular ion
Abstract : This thesis explores the dynamics of a heteronuclear diatomic molecular ion, possessing a permanent electric dipole moment, µ, which is trapped in a linear Paul trap and can interact with an off-resonance laser field. To build our model we use the rigid-rotor approximation, where the dynamics of the molecular ion are limited to its translational and rotational motions of the center-of-mass. READ MORE