Configuration Set

ANI-2x-wB97MV-def2TZVPP_num_atoms_41__CS_yqj0gry1jv7v_0




Name ANI-2x-wB97MV-def2TZVPP_num_atoms_41
Extended ID ANI-2x-wB97MV-def2TZVPP_num_atoms_41__CS_yqj0gry1jv7v_0
Description Configurations with 41 atoms from ANI-2x-wB97MV-def2TZVPP 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