Computational Studies of Anti-Cancer Photochemistry

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This is a PhD research project in Chemistry. The project will a involve a wide range of electronic structure methods to model photoactivated anti-cancer drugs. Initial emphasis will be on correlated treatments of transition metal compounds, and may involve methodological development and application of novel multi-reference techniques and hybrid methods to treat complex environments. Further work will be toward the photochemistry of larger molecular and supramolecular systems. There will also be the opportunity to consider multi-state non-adiabatic dynamical effects in the photochemistry listed above.