Global ETD Search
Search theses and dissertations gathered from participating repositories worldwide. Every result links back to the library that holds it. No account is needed.
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Showing 1 to 2 of 2 for “"multiplet theory"”.
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Density Functional Theory augmented Multiplet Ligand Field Theory Applied to X-ray Spectroscopy of 3d Transition Metals
… to refine our understanding of the world, with theory playing a supporting or interpretive role. The rarer occurrence comes from when theory is used to motivate new directions for scientific exploration. The difficulty of course comes from the need for a theory that can provide predictions for …
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The femtosecond m-edge approach to the photodynamics of iron(II) complexes
… conventionally modelled using charge transfer multiplet theory (CTM). The difficulty of handling excited states using existing CTM theory software is primarily due to the use in the software of spin-orbit coupled basis functions, a choice that is mathematically efficient but obscures chemically …