Configuration Set

ANI-2x-wB97MD3BJ-def2TZVPP_num_atoms_42__CS_d2uoc3aubeh4_0




Name ANI-2x-wB97MD3BJ-def2TZVPP_num_atoms_42
Extended ID ANI-2x-wB97MD3BJ-def2TZVPP_num_atoms_42__CS_d2uoc3aubeh4_0
Description Configurations with 42 atoms from ANI-2x-wB97MD3BJ-def2TZVPP dataset
Elements C (11.65%)
H (61.53%)
N (3.18%)
O (23.62%)
S (0.03%)
Number of Configurations 22,623
Number of Atoms 950,166
Configurations