Configuration Set

ANI-2x-B973c-def2mTZVP_num_atoms_42__CS_5uu8nfoyxlkd_0




Name ANI-2x-B973c-def2mTZVP_num_atoms_42
Extended ID ANI-2x-B973c-def2mTZVP_num_atoms_42__CS_5uu8nfoyxlkd_0
Description Configurations with 42 atoms from ANI-2x-B973c-def2mTZVP dataset
Elements C (11.65%)
H (61.53%)
N (3.18%)
O (23.62%)
S (0.03%)
Number of Configurations 22,620
Number of Atoms 950,040
Configurations