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Item hits:
| Preview | Title | Author(s) | Program | Method(s) | Basis Set | Energy | Solv. | Vibr. |
|---|---|---|---|---|---|---|---|---|
 | /PBE0 PBE0_cat-4 | Ortuño Maqueda, Manuel Angel | Gaussian; 16; ES64L-G16RevC.01 | UPBE1PBE | SDD 6-31+G(D,P) 6-31G(D,P) GEN | -1118.03194683; Eh | ||
 | /pre-catalysts cat-4 | Ortuño Maqueda, Manuel Angel | Gaussian; 16; ES64L-G16RevC.01 | UB3LYP | SDD 6-31+G(D,P) 6-31G(D,P) GEN | -1119.23294145; Eh |
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