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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 27-Sep-2021 | SCO_B3LYP_S18_LS_OLD | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Minimum | UB3LYP | DEF2TZVP | -2832.23878577; Eh | |||
| 27-Sep-2021 | SCO_B3LYP_S16_HS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Minimum | UB3LYP | DEF2TZVP | -2642.48468306; Eh | |||
| 27-Sep-2021 | SCO_B3LYP_S16_LS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Minimum | UB3LYP | DEF2TZVP | -2642.48574547; Eh | |||
| 27-Sep-2021 | SCO_B3LYP_S7_HS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Minimum | UB3LYP | DEF2TZVP | -5117.50524376; Eh | |||
| 27-Sep-2021 | SCO_B3LYP_S6_LS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Minimum | UB3LYP | DEF2TZVP | -3114.14175826; Eh |
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