10.60732/682b12b1
URL
Metadata
ComBat Dataset
Rasha Atwi,
Matthew Bliss,
Maxim Makeev,
Nav Nidhi Rajput,
DFT-optimized geometries and properties for Li-S electrolytes. These make up the Computational Database for Li-S Batteries (ComBat), calculated using Gaussian 16 at the B3LYP/6-31+G* level of theory.
