Search for dissertations about: "NMR spin Hamiltonian parameters"

Found 2 swedish dissertations containing the words NMR spin Hamiltonian parameters.

  2. 1. Density functional studies of EPR and NMR parameters of paramagnetic systems

    Author : Lyudmyla G. Telyatnyk; Olav Vahtras; Martin Kaupp; KTH; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; spin-restricted DFT; restricted-unrestricted approach; EPR spin Hamiltonian parameters; NMR spin Hamiltonian parameters; Bioorganic chemistry; Bioorganisk kemi;

    Abstract : Experimental methods based on the magnetic resonance phenomenon belong to the most widely used experimental techniques for investigations of molecular and electronic structure. The difficulty with such experiments, usually a proper interpretation of data obtained from high-resolution spectra, opens new challenges for pure theoretical methods. READ MORE

  4. 2. Density Functional Theory for EPR and NMR Spin Hamiltonian Parameters

    Author : Zilvinas Rinkevicius; KTH; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; DFT; EPR; NMR; response theory; Theoretical chemistry; Teoretisk kemi;

    Abstract : .... READ MORE