Sökning: "zero-field splitting"

Visar resultat 1 - 5 av 10 avhandlingar innehållade orden zero-field splitting.

1. 1. Zero-Field Splitting in Gd(III) complexes : Towards a molecular understanding of paramagnetic relaxation

   Författare :Shehryar Khan; Michael Odelius; Arnold Maliniak; Stockholms universitet; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Zero-Field Splitting; Relaxation; Quantum Chemistry; Molecular Dynamics; Gd III ; kemisk fysik; Chemical Physics;

   Sammanfattning : The prime objectives of contrast agents in Magnetic Resonance Imaging(MRI) is to accelerate the relaxation rate of the solvent water protons in the surrounding tissue. Paramagnetic relaxation originates from dipole-dipole interactions between the nuclear spins and the fluctuating magnetic field induced by unpaired electrons. LÄS MER

3. 2. Combined Quantum Mechanical and Molecular Dynamics study of paramagnetic complexes : Towards an understanding of electronic spin relaxation

   Författare :Shehryar Khan; Michael Odelius; Jozef Kowalewski; Juha Vaara; Stockholms universitet; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; molecular dynamics; quantum chemistry; zero-field splitting; kemisk fysik; Chemical Physics;

   Sammanfattning : The prime objectives of contrast agents in Magnetic Resonance Imaging (MRI) is to accelerate the relaxation rate of the solvent water protons in the surrounding tissue. Paramagnetic relaxation originates from dipole-dipole interactions between the nuclear spins and the fluctuating magnetic field induced by unpaired electrons. LÄS MER

4. 3. Spin-orbit coupling in transition metal systems : a study of octahedral Ni(II)

   Författare :Carl Ribbing; Stockholms universitet; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES;

   Sammanfattning : The effects induced by spin-orbit coupling on the electronic states of Ni(II) complexes are studied with ab-initio and crystal field calculations.The ab-initio calculations are performed in two steps, to separate the coulomb and the spin-orbit effects. LÄS MER

5. 4. Nuclear spin relaxation in paramagnetic metal complexes and the slow motion problem for the electron spin

   Författare :Nikolas Benetis; Stockholms universitet; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES;

   Sammanfattning : A general theory is derived for the relaxation of ligand nuclei in a solution of slowly tumbling paramagnetic complexes with a static zero-field splitting interaction. The Solomon-Bloembergen-Morgan theory, which is the approach traditionally taken in studies of this kind, is shown to be the limit of the new theory when the electron Zeeman interaction dominates over the zerofield splitting interaction and when the exchange rate is significant. LÄS MER

7. 5. Development of theoretical approaches for post-silicon information processing

   Författare :Viktor Ivády; Igor Abrikosov; Adam Gali; Erik Janzén; Risto Nieminen; Linköpings universitet; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES;

   Sammanfattning : Despite knowing the fundamental equations in most of the physics research areas, still there is an unceasing need for theoretical method development, thanks to the more and more challenging problems addressed by the research community. The investigation of post-silicon, non-classical information processing is one of the new and rapidly developing areas that requires tremendous amount of theoretical support, new understanding, and accurate theoretical predictions. LÄS MER