Theoretical Study of Excited-state Processes in the Condensed Phase

Abstract : To develop a theoretical methodology to study the influence of external stimuli on fluorescent crystals. We are particularly interested in excited state reactivity, aggregation-enhanced fluorescence and responses to mechanical stimuli. Such phenomena are often not yet understood at a molecular level, a problem exacerbated by the absence of adequate and cost-efficient computational models. This thesis counters this problem by developing a method capable of describing the solid state environment in the context of excited-state calculations at the quantum level.
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Liam Wilbraham. Theoretical Study of Excited-state Processes in the Condensed Phase. Theoretical and/or physical chemistry. PSL Research University, 2017. English. ⟨NNT : 2017PSLEC001⟩. ⟨tel-01730939⟩

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