Configuration Set

QM-22_Acetaldehyde_triplet__CS_jdaubffqucao_0




Name QM-22_Acetaldehyde_triplet
Extended ID QM-22_Acetaldehyde_triplet__CS_jdaubffqucao_0
Description Acetaldehyde_triplet configurations from QM-22 dataset
Elements C (28.57%)
H (57.14%)
O (14.29%)
Number of Configurations 43,383
Number of Atoms 303,681
Configurations