Sökning: "nuclear dynamics"

Visar resultat 1 - 5 av 267 avhandlingar innehållade orden nuclear dynamics.

1. 1. Electronic and nuclear dynamics of X-ray processes

   Författare :Timofei Privalov; KTH; []
   Nyckelord :TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; resonant X-ray Raman scattering; nuclear dynamics; relaxation; Bioengineering; Bioteknik;

   Sammanfattning : .... LÄS MER

3. 2. Nuclear Dynamics in X-ray Absorption and Raman Scattering

   Författare :Ivaylo Minkov; Faris Gelmukhanov; Knut Borve; KTH; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; x-ray scattering; theory; simulations; recoil; Doppler effect; nuclear dynamics; Auger; XPS; Theoretical chemistry; Teoretisk kemi;

   Sammanfattning : This thesis presents theoretical studies of several x-ray spectroscopies - x-ray absorption, x-ray photoelectron emission, radiative and non-radiative resonant Raman scattering spectroscopy. The main focus point is investigating the influence of nuclear dynamics on these spectra for a variety of small molecules - naphthalene, biphenyl, ethylene, the water dimer, HCl, CO. LÄS MER

4. 3. Dissociation dynamics of highly excited molecules: Theory and Experiment

   Författare :Shabnam Oghbaie; Synkrotronljusfysik; []
   Nyckelord :Molecular dissociation; core-electron excitation; double ionization; femtoseconds molecular dynamics; Isomerization; symmetry breaking; momentum imaging; site-selective dissociation; butadiene; cyclopropane; nuclear dynamics; Auger decay;

   Sammanfattning : This thesis presents studies on dissociation of two model molecules: Butadiene and Cyclopropane. Tunable synchrotron radiation was used to ionize or excite the molecules in the gas phase, and the momentum correlation of the resulting fragment ions were measured using a 3D momenta coincident ion spectroscopy. LÄS MER

5. 4. Protein-water interactions studied by molecular dynamics simulations

   Författare :Filip Persson; Biofysikalisk kemi; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; MD simulations; NMR nuclear magnetic resonance ; MRD; water dynamics; protein dynamics; protein hydration; Amide hydrogen exchange; Internal water; compressibility;

   Sammanfattning : Most proteins have evolved to function optimally in aqueous environments, and the interactions between protein and water therefore play a fundamental role in the stability, dynamics, and function of proteins. Although we understand many details of water, we understand much less about the protein-water interface. LÄS MER

7. 5. Water and Protein Dynamics in Biological Systems Studied by Magnetic Relaxation Dispersion

   Författare :Erik Persson Sunde; Biofysikalisk kemi; []
   Nyckelord :protein dynamics; ubiquitin; BPTI; Escherichia coli; Haloarcula marismortui; nuclear magnetic resonance; protein hydration; magnetic relaxation dispersion; water dynamics; cell water;

   Sammanfattning : The results presented in this thesis demonstrate that the magnetic relaxation dispersion (MRD) technique can provide information of relevance to protein biophysics, magnetic resonance imaging and cell biology. By immobilizing proteins with covalent cross-links, intermittent protein dynamics on the previously inaccessible ns-µs time scale could be probed with MRD via the exchange of water molecules between internal cavities and the surrounding bulk solvent phase. LÄS MER