Info: Zenodo’s user support line is staffed on regular business days between Dec 23 and Jan 5. Response times may be slightly longer than normal.

Published March 7, 2023 | Version v3
Dataset Open

Non-Directed C-H/C-F Coupling for the Synthesis of α-Fluoro Olefinated Arenes

Description

This folder /DFT_optimized_structures/ contains the DFT-optimized geometries (in .xyz format together with the gas-phase energy, E) accompanying the paper

"Non-Directed C-H/C-F Coupling for Regioselective Synthe-sis of α-Fluoro Olefinated Arenes "

Where conformers occur, they are always named from the lowest Gibbs energy to the highest in ascending order from c1 (sometimes omitted), c2, c3, ...

Files

DFT_optimized_structures.zip

Files (65.5 kB)

Name Size Download all
md5:5c13002403d4fb1aff339d7441700cca
65.5 kB Preview Download