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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_S2_HS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UBLYP | DEF2TZVP | -4399.40110196; Eh | |||
| 27-Sep-2021 | SCO_B3LYPSTAR_S2_LS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UBLYP | DEF2TZVP | -4399.42758027; Eh | |||
| 27-Sep-2021 | SCO_B3LYPSTAR_S1_HS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UBLYP | DEF2TZVP | -3145.97127236; Eh | |||
| 27-Sep-2021 | SCO_B3LYPSTAR_S1_LS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UBLYP | DEF2TZVP | -3145.97752295; Eh | |||
| 27-Sep-2021 | SCO_B3LYPSTAR_S3_HS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UBLYP | DEF2TZVP | -2852.88717034; Eh | |||
| 27-Sep-2021 | SCO_B3LYPSTAR_S3_LS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Minimum | UBLYP | DEF2TZVP | -2852.89971016; Eh | |||
| 27-Sep-2021 | SCO_B3LYPSTAR_S7_LS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UBLYP | DEF2TZVP | -5100.70158600; Eh | |||
| 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 |
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