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Date of Award
Restricted Thesis: Campus only access
Bachelor of Arts
Structure prediction remains a challenge for modern computational chemistry. The extraction of data from computationally-accessible, small gas-phase clusters is one means of obtaining information to make predictions for structural preferences in extended solids. Generally, the mode of bonding is conserved as we climb the oligomerization ladder from gas-phase clusters to extended solids.
Shafi, Ziad, "A search for the location of a novel transition in mercury(II)fluoride" (2018). Honors Theses. 1317.
Available for download on Thursday, November 11, 2021