Configuration Set

ANI-2x-B973c-def2mTZVP_num_atoms_39__CS_b44mmcmzds44_0




Name ANI-2x-B973c-def2mTZVP_num_atoms_39
Extended ID ANI-2x-B973c-def2mTZVP_num_atoms_39__CS_b44mmcmzds44_0
Description Configurations with 39 atoms from ANI-2x-B973c-def2mTZVP dataset
Elements C (11.26%)
H (61.22%)
N (2.98%)
O (24.43%)
S (0.1%)
Number of Configurations 42,573
Number of Atoms 1,660,347
Configurations