Configuration Set

ANI-2x-B973c-def2mTZVP_num_atoms_36__CS_cm8kfqtpyjn3_0




Name ANI-2x-B973c-def2mTZVP_num_atoms_36
Extended ID ANI-2x-B973c-def2mTZVP_num_atoms_36__CS_cm8kfqtpyjn3_0
Description Configurations with 36 atoms from ANI-2x-B973c-def2mTZVP dataset
Elements C (14.53%)
H (59.44%)
N (3.82%)
O (22.05%)
S (0.17%)
Number of Configurations 51,878
Number of Atoms 1,867,608
Configurations