Computational chemistry has played an increasingly important role in the development of new strategies for the formation of functional polyethers at IBM Research - Almaden. Recent advances include the development of catalyst and solvent-free strategies for the formation of noncyclic polyarylethers as well as the development of renewable strategies for polyarylether formation from waste materials. This seminar will discuss how insights gained from computational chemistry investigations have fueled these advances.

Role of computational chemistry in the development of new organocatalytic routes for poly(ether) synthesis

251st National Meeting (2016)

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