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Initial Excited-State Structural Dynamics and Damage Kinetics of Nucleic Acid Derivatives and a Rhodopsin Analogue
DownloadFall 2013
Photochemical reactions resulting from the absorption of ultraviolet light are one of the main causes of DNA damage. For any excited-state photochemical reaction, it is the structural changes in the excited state after the absorption of the photon that ultimately decide the photochemical fate...
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Spring 2015
In this thesis, we simulated the resonance Raman spectra of uracil and its derivatives, including 5-halogenated (F, Cl, Br) uracils and thymine, using the Herzberg-Teller short-time dynamics formalism. The electronic structure calculations are carried out using density functional theory (DFT) for...