Configuration Set

ANI-2x-wB97MD3BJ-def2TZVPP_num_atoms_40__CS_jx6k27qpx4fl_0




Name ANI-2x-wB97MD3BJ-def2TZVPP_num_atoms_40
Extended ID ANI-2x-wB97MD3BJ-def2TZVPP_num_atoms_40__CS_jx6k27qpx4fl_0
Description Configurations with 40 atoms from ANI-2x-wB97MD3BJ-def2TZVPP dataset
Elements C (31.09%)
F (0.03%)
H (50.02%)
N (8.64%)
O (10.05%)
S (0.18%)
Number of Configurations 21,931
Number of Atoms 877,240
Configurations