Configuration Set


Extended ID MISPR-BDE__CS_z7zfxfkv2h8t_0
Description Configurations from MISPR dataset produced by the MISPR bond dissociation energy (BDE) workflow
Elements C (29.02%)
H (61.19%)
N (2.45%)
Cl (1.05%)
O (3.15%)
F (2.45%)
S (0.7%)
Number of Configurations 28
Number of Atoms 286
Datasets DS_rsao7xrpu9ig_0
ColabFit ID CS_z7zfxfkv2h8t_0
Files colabfitspec.json

No uploaded content is transferred in ownership from the original creators to ColabFit. All content is distributed under the license specified by its contributor who has stated that he or she has the authority to share it under the specified license.