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Density functional theory and time-dependent density functional theory studies of copper and silver cation complexes

A particular emphasis of this thesis has been to provide insight into the underlying stability of these complexes and hence interpret experimental data, and to establish the development of solvation shell structure and its effect on reactivity and excited states. Energy decomposition analysis, fragment analysis and charge analysis has been used throughout to provide deeper insight into the nature of the bonding in these complexes. This has also been used successfully to explain observed preferential stability and dissociative loss products.

Identiferoai:union.ndltd.org:bl.uk/oai:ethos.bl.uk:496931
Date January 2009
CreatorsEsplugas, Ricardo Oliveira
PublisherUniversity of Sussex
Source SetsEthos UK
Detected LanguageEnglish
TypeElectronic Thesis or Dissertation

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