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Item hits:
| Preview | Title | Author(s) | Program | Method(s) | Basis Set | Energy | Solv. | Vibr. |
|---|---|---|---|---|---|---|---|---|
 | Behavior_of_HF_and_(HF)_2_inside_a_fullerene_cage__A_benchmarkin | Poddar, Arpita | Gaussian; 16; EM64L-G16RevB.01 | RPBEPBE | DEF2SVP | -2482.48245623; Eh | ||
 | Optimized_structure_of_(HF)2C60_(Anti_parallel) | Poddar, Arpita | Gaussian; 16; EM64L-G16RevB.01 | RPBEPBE | DEF2SVP | -2482.48119273; Eh |
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