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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_SO_HighSpin_3_HS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UBLYP | DEF2TZVP | -2803.72040212; Eh | |||
| 27-Sep-2021 | SCO_SO_HighSpin_2_LS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UBLYP | DEF2TZVP | -3237.94208514; Eh | |||
| 27-Sep-2021 | SCO_SO_HighSpin_2_HS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UBLYP | DEF2TZVP | -3237.96933813; Eh | |||
| 27-Sep-2021 | SCO_SO_LowSpin_1_LS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UBLYP | DEF2TZVP | -1814.76645250; Eh | |||
| 27-Sep-2021 | SCO_B3LYPSTAR_S12_LS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UBLYP | DEF2TZVP | -4062.51147847; Eh | |||
| 27-Sep-2021 | SCO_B3LYPSTAR_S11_HS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UBLYP | DEF2TZVP | -7991.12412895; Eh | |||
| 27-Sep-2021 | SCO_B3LYPSTAR_S11_LS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UBLYP | DEF2TZVP | -7991.13630926; Eh | |||
| 27-Sep-2021 | SCO_B3LYPSTAR_S9_LS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UBLYP | DEF2TZVP | -3100.90138196; Eh | |||
| 27-Sep-2021 | SCO_B3LYPSTAR_S8_LS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UBLYP | DEF2TZVP | -2778.23397487; Eh | |||
| 27-Sep-2021 | SCO_B3LYPSTAR_S10_HS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UBLYP | DEF2TZVP | -2706.65273811; Eh |
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