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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 26-Feb-2023 | H-Tyra(NO)_complex_(FeC50N7H50O5)_ | Abdo, Amir | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization Minimum | UB3LYP | GENECP | -2819.04262968; Eh | |||
| 26-Feb-2023 | H-Tyra_(FeC50N6H50O4Cl)_ | Abdo, Amir | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization Minimum | UB3LYP | GENECP | -3149.33980667; Eh | |||
| 26-Feb-2023 | TPP-Fe_(FeC44N4H28Cl)_ | Abdo, Amir | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization Minimum | UB3LYP | GENECP | -2496.79722934; Eh |
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