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. 2020 Aug 13;11(37):10078–10091. doi: 10.1039/d0sc03665j

Absolute values of the intermolecular HOMO⋯HOMO interaction energies (|βHOMO–HOMO|, eV) for the (TMTXF)3Ta2F10O salts.

Interaction (type) (TMTSF)3Ta2F10O (TMTTF)3Ta2F10O
I (A–B) 0.7561 0.7368
II (A–A) 0.3458 0.0105
III (A–A) 0.0261 0.0360
IV (B–B) 0.0349 0.0295
V (A–A) 0.0696 0.1302
VI (A–B) 0.0118 0.0205