Sökning: "Ulf Wahlgren"

Visar resultat 1 - 5 av 6 avhandlingar innehållade orden Ulf Wahlgren.

  1. 1. A MO-SCF study of hydroxyl binding and hydroxyl diffusion in pure and fluorine-containing hydroxyapatite

    Författare :Ulf Wahlgren; Stockholms universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES;

    Sammanfattning : .... LÄS MER

  3. 2. Modélisation théorique de la spectroscopie d'actinides des solvatés

    Författare :Cecile Danilo; Ulf Wahlgren; Valerie Vallet; Jean-Pierre Flament; Timo Fleig; Stockholms universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Actinides; spectra; solution; Chemical physics; Kemisk fysik; kemisk fysik; Chemical Physics;

    Sammanfattning : The framework of this PhD is the interpretation of Nuclear Magnetic Relaxation Dispersion experiments performed on solvated U4+, NpO2+ and PuO22+, which all have an f2 configuration. Unexpectedly the two actinyl ions have a much higher relaxivity than U4+. LÄS MER

  4. 3. Traitement de l'interaction spin-orbite en chimie quantique et application à la réactivité des complexes d'actinides

    Författare :Emmanuel Fromager; Ulf Wahlgren; Christian Teichteil; Michael Dolg; Stockholms universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; quantum chemistry; actinides; charge transfer reactions; spin-orbit effects; Physics; Fysik;

    Sammanfattning : The recent methodological developments and the advent of faster computers enable nowadays to investigate theoretically the chemical reactivity of heavy element complexes. As an example we can mention actinide chemistry which is involved in the separation of nuclear wastes. LÄS MER

  5. 4. Spin-Orbit and Spin-Spin Coupling in the Triplet State

    Författare :Sathya Sai Ramakrishna Raj Perumal; Hans Ågren; Ulf Wahlgren; KTH; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Spin-spin; Spin-Orbit; D and E parameters; ZFS; graphene; TMM; OXA; diradicals; tris 8-hydroxyquinonline aluminium; magnetic anisotropy; magnetism; triplet;

    Sammanfattning : The underlying theory of “Spin” of an electron and its associated inter-actions causing internal fields and spectral shift to bulk-magnetism iswell established now. Our understanding of spin properties is significant andmore useful than ever before. LÄS MER

  7. 5. Spin-Spin and Spin-Orbit coupling studies of small species and magnetic system

    Författare :Sathya S R R Perumal; Olav Vahtras; Ulf Wahlgren; KTH; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; spin-spin; spin-orbit; biradical; mcscf; Theoretical chemistry; Teoretisk kemi;

    Sammanfattning : The spin of an electron often misleadingly interpreted as the classical rotationof a particle. The quantum spin distinguishes itself from classicalrotation by possessing quantized states and can be detected by its magneticmoment. The properties of spin and its collective behavior with otherfundamental properties are fascinating in basic sciences. LÄS MER