Configuration Set

ANI-2x-wB97X-631Gd_num_atoms_45__CS_tpbo5tb8zmb7_0




Name ANI-2x-wB97X-631Gd_num_atoms_45
Extended ID ANI-2x-wB97X-631Gd_num_atoms_45__CS_tpbo5tb8zmb7_0
Description Configurations with 45 atoms from ANI-2x-wB97X-631Gd dataset
Elements C (10.37%)
H (62.18%)
N (2.9%)
O (24.55%)
S (0.01%)
Number of Configurations 21,771
Number of Atoms 979,695
Configurations