Configuration Set

ANI-2x-B973c-def2mTZVP_num_atoms_41__CS_hxki2ne7i6uu_0




Name ANI-2x-B973c-def2mTZVP_num_atoms_41
Extended ID ANI-2x-B973c-def2mTZVP_num_atoms_41__CS_hxki2ne7i6uu_0
Description Configurations with 41 atoms from ANI-2x-B973c-def2mTZVP dataset
Elements C (32.83%)
F (0.0%)
H (50.33%)
N (7.74%)
O (8.84%)
S (0.26%)
Number of Configurations 19,683
Number of Atoms 807,003
Configurations