Detail

Cyclic Alkenes as Candidates for FROMP

Cencer, Morgan M.; Moore, Jeffrey S.

Organizations

MDF Open

Year

2021

Source Name

cencer_cyclic_alkenes_fromp

License

CC-BY 4.0

Contacts

morgan.cencer@gmail.com jsmoore@illinois.edu

DOI

10.18126/bpmg-0a78 View on Datacite
This dataset consists of data about known FROMP monomers and a variety of candidate monomers, which are all cyclic alkenes. While this data was focused on FROMP monomers, we believe that the list of candidate cyclic alkenes (>11 million SMILES strings) and the ~1800 high theory level (M06/def2tzvp) DFT files may prove useful for other projects. The data and code in this collection was created by Morgan Cencer (except where otherwise noted) during doctoral research with Prof. Jeff Moore. More information can be found in chapter 5 of Cencer, M. M. (2022) Computational Tools for Materials Design: Applications in Dynamic Covalent Chemistry, Polymers, and Electrochemical Systems (Ph.D. Dissertation) University of Illinois, Urbana-Champaign.