Computational studies of SmI2-mediated radical reactions

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The future of molecular manufacture will see the integration of computational and synthetic processes become more prominent - this emerging area encompasses the generation of molecular understanding and design through the use of computational guided methods such as density functional theory (DFT). This thesis will look at how we can use DFT to aid mechanistic understanding of SmI2-mediated radical reactions in order to further advance the synthetic capabilities of SmI2.