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Filtering by: Subject Rhodium catalysts Degree Field Chemistry

Computational Investigations of Transition Metal Catalyses and Amorphous Metal Oxides : Accelerating Scientific Discovery Through Automation

Creator:

Mustard, Thomas J. L.

Abstract:

Automation of computational chemistry, while only an engineering feat, has the potential to accelerating computational research be removing all by the science. The work in this thesis mainly discusses fundamental understanding of complex chemical systems. What is not obvious are the numerous tasks necessary for this fundamental understanding. Under the...

Resource Type:

Dissertation

Full Text:

a trace less dual Cu(I)-catalyst mechanism. Overall, the reaction involves a monomeric Cu(I