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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_B3LYPSTAR_S7_HS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Minimum | UBLYP | DEF2TZVP | -5100.69107469; Eh | |||
| 27-Sep-2021 | SCO_B3LYPSTAR_S5_HS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UBLYP | DEF2TZVP | -2696.81288604; Eh | |||
| 27-Sep-2021 | SCO_B3LYPSTAR_S5_LS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UBLYP | DEF2TZVP | -2696.82123762; Eh | |||
| 27-Sep-2021 | SCO_B3LYPSTAR_S6_HS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UBLYP | DEF2TZVP | -3100.34571980; Eh | |||
| 27-Sep-2021 | SCO_B3LYPSTAR_S6_LS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UBLYP | DEF2TZVP | -3100.35535821; Eh | |||
| 27-Sep-2021 | SCO_B3LYPSTAR_S4_HS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UBLYP | DEF2TZVP | -2706.66864763; Eh | |||
| 27-Sep-2021 | SCO_B3LYPSTAR_S4_LS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UBLYP | DEF2TZVP | -2706.67695308; Eh | |||
| 27-Sep-2021 | SCO_B3LYPSTAR_S12_HS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UBLYP | DEF2TZVP | -4062.50469385; Eh | |||
| 27-Sep-2021 | SCO_B3LYPSTAR_S14_LS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UBLYP | DEF2TZVP | -3445.20827108; Eh | |||
| 27-Sep-2021 | SCO_B3LYPSTAR_S14_HS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UBLYP | DEF2TZVP | -3445.19540294; Eh |
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