Published March 4, 2022
| Version v1
Dataset
Open
Programmable Selective Acylation of Saccharides Mediated by Carbene and Boronic Acid
Description
This folder /final_xyz_structures/ contains the DFT-optimized geometries (in .xyz format together with the gas-phase energy, E) accompanying the paper
"Programmable Selective Acylation of Saccharides Mediated by Carbene and Boronic Acid"
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
final_xyz_structures.zip
Files
(80.7 kB)
Name | Size | Download all |
---|---|---|
md5:928ac250bb715141395fcdccb92d9247
|
80.7 kB | Preview Download |