Configuration Set

QM-22_Acetaldehyde_singlet__CS_qn6we151hngh_0




Name QM-22_Acetaldehyde_singlet
Extended ID QM-22_Acetaldehyde_singlet__CS_qn6we151hngh_0
Description Acetaldehyde_singlet configurations from QM-22 dataset
Elements C (28.57%)
H (57.14%)
O (14.29%)
Number of Configurations 198,757
Number of Atoms 1,391,299
Configurations