Configuration Set

ANI-2x-wB97MV-def2TZVPP_num_atoms_37__CS_7mnq7iqbbezu_0




Name ANI-2x-wB97MV-def2TZVPP_num_atoms_37
Extended ID ANI-2x-wB97MV-def2TZVPP_num_atoms_37__CS_7mnq7iqbbezu_0
Description Configurations with 37 atoms from ANI-2x-wB97MV-def2TZVPP dataset
Elements C (31.38%)
H (48.51%)
N (9.05%)
O (10.57%)
S (0.49%)
Number of Configurations 21,374
Number of Atoms 790,838
Configurations