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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_S18_HS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Minimum | UBLYP | DEF2TZVP | -2819.06653376; Eh | |||
| 27-Sep-2021 | SCO_OPBE_S1_LS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UOPBE | DEF2TZVP | -3158.03954637; Eh | |||
| 27-Sep-2021 | SCO_OPBE_S1_HS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UOPBE | DEF2TZVP | -3158.03222164; Eh | |||
| 27-Sep-2021 | SCO_OPBE_S7_HS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Minimum | UOPBE | DEF2TZVP | -5117.69303147; Eh | |||
| 27-Sep-2021 | SCO_OPBE_S7_LS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Minimum | UOPBE | DEF2TZVP | -5117.69640781; Eh | |||
| 27-Sep-2021 | SCO_OPBE_S9_HS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UOPBE | DEF2TZVP | -3114.01546366; Eh | |||
| 27-Sep-2021 | SCO_OPBE_S9_LS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UOPBE | DEF2TZVP | -3114.01571050; Eh | |||
| 27-Sep-2021 | SCO_OPBE_S6_HS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UOPBE | DEF2TZVP | -3113.63217183; Eh | |||
| 27-Sep-2021 | SCO_OPBE_S8_LS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UOPBE | DEF2TZVP | -2790.67634017; Eh | |||
| 27-Sep-2021 | SCO_OPBE_S6_LS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UOPBE | DEF2TZVP | -3113.63476982; Eh |
Results 171-180 of 240 (Search time: 0.001 seconds).