Electronic Supplementary Information for "CatSD: Structural Database and High-Throughput Predictive Workflows for Homogeneous Catalyst Design".
Marc Short
Supervisors: Bao Nguyen (Leeds), Charlotte Willans (Leeds), Clare Tovee (CCDC).
This is the electronic supplementary information (ESI) associated with the Ph.D. thesis of Marc A.S. Short. The thesis title is "CatSD: Structural Database and High-Throughput Predictive Workflows for Homogeneous Catalyst Design". This ESI provides full details of the anlayses performed in the work, as well as access to the high-throughput workflow and scripts presented in the thesis. Using this we aim to provide better access to analysis reproducibility and make the workflow available for wider use.
MASS is grateful to the University of Leeds, EPSRC and The Cambridge Crystallographic Data Centre for co-funding the studentship. Centre for Doctoral Training in Complex Particulate Products and Processes (EP/L015285/1).