Search for dissertations about: "restricted-unrestricted appoach"
Found 1 swedish dissertation containing the words restricted-unrestricted appoach.
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1. Magnetic Resonance Parameters of Radicals Studied by Density Functional Theory Methods
Abstract : The recent state of art in the magnetic resonance area putsforward the electron paramagnetic resonance, EPR, and nuclearmagnetic resonance, NMR, experiments on prominent positions forinvestigations of molecular and electronic structure. A mostdifficult aspect of such experiments is usually the properinterpretation of data obtained from high-resolution spectra,that, however, at the same time opens a great challenge forpure theoretical methods to interpret the spectral features. READ MORE
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