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Author

Ziad Shafi

Date of Award

2018

Document Type

Restricted Thesis: Campus only access

Degree Name

Bachelor of Arts

Department

Chemistry

Abstract

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.

Available for download on Thursday, November 11, 2021

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