Published March 7, 2023
| Version v3
Dataset
Open
Non-Directed C-H/C-F Coupling for the Synthesis of α-Fluoro Olefinated Arenes
Creators
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 |