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 4 of 4 for “"Open-shell transition metal"”.
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Measurement and kinetic analysis of complex ion-molecule reactions influenced by multiple electronic surfaces.
… reactions, particularly those featuring open-shell transition metal ions, are fundamental to understanding complex chemical reactivity paradigms that can help shed light on the behavior of bulk and extended materials. Kinetic studies are particularly revealing as these elucidate …
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Electronic structure of transition metal ions and clusters
… electronic structure and reaction mechanisms of open-shell transition metal ions and clusters. The early part of the thesis (Chapters 2 and 3) is devoted to high-valent metal-oxo species, both mono- and bimetallic, while Chapter 4 describes some aspects of copper-catalysed carbon-carbon bond …
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Multifidelity Methods for Design of Transition MetalComplexes
… spaces. This problem is especially acute for open-shell transition metal (TM) complexes, which are of central importance in homogeneous catalysis and have applications in solar energy and electronics. The space of TM complexes is enormous and poorly characterized, while DFT calculations for …
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Syntheses, properties, and reactions of transition metal complexes of di(tert-butyl)amide and 2,2,6,6-tetramethylpiperidide
Nitrides of the transition metals of groups 7-11 possess desirable properties, such as higher hardness and saturation magnetization than the corresponding metals. These nitrides have realized and potential applications in tool coatings and magnetic recording media. In order to develop new chemical …