Configuration Set

ANI-2x-wB97MV-def2TZVPP_num_atoms_36__CS_aguhva8r6xdy_0




Name ANI-2x-wB97MV-def2TZVPP_num_atoms_36
Extended ID ANI-2x-wB97MV-def2TZVPP_num_atoms_36__CS_aguhva8r6xdy_0
Description Configurations with 36 atoms from ANI-2x-wB97MV-def2TZVPP dataset
Elements C (14.53%)
H (59.44%)
N (3.82%)
O (22.05%)
S (0.17%)
Number of Configurations 51,888
Number of Atoms 1,867,968
Configurations