Sökning: "EPR spin Hamiltonian parameters"
Hittade 3 avhandlingar innehållade orden EPR spin Hamiltonian parameters.
1. Theoretical studies of EPR parameters of spin-labels incomplex environments
Sammanfattning : This thesis encloses quantum chemical calculations performed in the framework of density functional response theory for evaluating electron paramagnetic resonance (EPR) spin Hamiltonian parameters of various spin-labels in different environments. These parameters are the well known electronic g-tensor and the nitrogen hyperfine coupling constants, which are extensively explored in this work for various systems. LÄS MER
2. Density functional studies of EPR and NMR parameters of paramagnetic systems
Sammanfattning : 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. LÄS MER
3. Density Functional Theory for EPR and NMR Spin Hamiltonian Parameters
Sammanfattning : .... LÄS MER