Search for dissertations about: "Ulf Wahlgren"

Found 4 swedish dissertations containing the words Ulf Wahlgren.

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

    Author : Ulf Wahlgren; Stockholms universitet; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES;

    Abstract : .... READ MORE

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

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

    Abstract : 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. READ MORE

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

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

    Abstract : 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. READ MORE

  6. 4. Theoretical Actinide Chemistry – Methods and Models

    Author : Pernilla Wåhlin; Ulf Wahlgren; Luis Seijo; Stockholms universitet; []
    Keywords : Actinide; Quantum chemistry; Wave function; Density functional theory; Solvent models; Water exchange; Molecular configurations; Multi-reference density functional method; teoretisk fysik; Theoretical Physics;

    Abstract : The chemistry of actinides in aqueous solution is important, and it is essential to build adequate conceptual models and develop methods applicable for actinide systems. The complex electronic structure makes benchmarking necessary. READ MORE