This file is automatically generated. It contains the descriptions of each uploaded file as provided by the user.

• geom.zip: ZIP file containing optimized XYZ structures of ground-state species and transition states
• REF1.xlsx: XLSX file containing energy profile of the catalytic reaction under [[NiL2]2(COD)] reference state without CsF additive
• REF1_CsF.xlsx: XLSX file containing energy profile of the catalytic reaction under [[NiL2]2(COD)] reference state with CsF additive
• REF2.xlsx: XLSX file containing energy profile of the catalytic reaction under NiL2 reference state without CsF additive
• nico3L_nbo_feature.csv: CSV file containing electronic and steric descriptors for ligands
• g16_inp.zip: ZIP file containing input examples of Gaussian16 calculations