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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_M06L_S7_HS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UM06L | DEF2TZVP | -5117.15966720; Eh | |||
| 27-Sep-2021 | SCO_M06L_S7_LS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UM06L | DEF2TZVP | -5117.14825482; Eh | |||
| 27-Sep-2021 | SCO_M06L_S9_HS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UM06L | DEF2TZVP | -3114.28870816; Eh | |||
| 27-Sep-2021 | SCO_M06L_S9_LS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UM06L | DEF2TZVP | -3114.27446960; Eh | |||
| 27-Sep-2021 | SCO_M06L_S6_LS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Minimum | UM06L | DEF2TZVP | -3113.87696917; Eh | |||
| 27-Sep-2021 | SCO_M06L_S10_HS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UM06L | DEF2TZVP | -2718.86464780; Eh | |||
| 27-Sep-2021 | SCO_M06L_S8_LS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UM06L | DEF2TZVP | -2790.92834185; Eh | |||
| 27-Sep-2021 | SCO_M06L_S8_HS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UM06L | DEF2TZVP | -2790.94233780; 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_TPSSh_S18_LS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization Minimum | UTPSSh | DEF2TZVP | -2832.38207813; Eh |
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