Data for: "Informatics-Driven Catalyst Design for C-H Activation and Hydrogen Isotope Exchange Processes" (Thesis Data)

This dataset contains the input, checkpoint and output computational files utilised within the final year undergraduate thesis of David Anderson in the format of .com, .chk and .log files. Note: The research dataset present within this record was funded by the Pure and Applied Chemistry Department of the University of Strathclyde and represents a piece of on-going research. Therefore, access to this dataset is currently restricted, however, further information is available from the contact email listed on this record.