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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_(Charged,_FeC50N7H50O5)_ | Abdo, Amir | Gaussian; 16; ES64L-G16RevB.01 | Single point Minimum | RB3LYP | GENECP | -2818.79870665; Eh | |||
| 26-Feb-2023 | H-Tyros(NO)_complex_(FeC52N7H50O9)_ | Abdo, Amir | Gaussian; 16; ES64L-G16RevB.01 | Single point Minimum | UB3LYP | GENECP | -3196.29743095; Eh | |||
| 26-Feb-2023 | H-Tyros_(FeC52N6H50O8Cl)_ | Abdo, Amir | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UB3LYP | GENECP | -3526.59880588; Eh | |||
| 26-Feb-2023 | Hemin(NO)_complex_(FeC34N5H32O5)_ | Abdo, Amir | Gaussian; 16; ES64L-G16RevB.01 | Single point Minimum | UB3LYP | GENECP | -2088.80268582; Eh |
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