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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_OPBE_S4_LS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Minimum | UOPBE | DEF2TZVP | -2718.65948621; Eh | |||
| 27-Sep-2021 | SCO_OPBE_S18_LS_OLD | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Minimum | UOPBE | DEF2TZVP | -2831.69487096; Eh | |||
| 27-Sep-2021 | SCO_OLYP_S2_LS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Minimum | UOLYP | DEF2TZVP | -4399.69693365; Eh | |||
| 27-Sep-2021 | SCO_OLYP_S10_LS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Minimum | UOLYP | DEF2TZVP | -2718.79347243; Eh | |||
| 27-Sep-2021 | SCO_SO_HighSpin_3_LS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Minimum | UBLYP | DEF2TZVP | -2803.71769118; Eh | |||
| 27-Sep-2021 | SCO_SO_LowSpin_2_HS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Minimum | UBLYP | DEF2TZVP | -1969.26365308; Eh | |||
| 27-Sep-2021 | SCO_SO_LowSpin_1_HS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Minimum | UBLYP | DEF2TZVP | -1814.71200351; Eh | |||
| 27-Sep-2021 | SCO_B3LYP_S16_HS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Minimum | UB3LYP | DEF2TZVP | -2642.48468306; Eh | |||
| 27-Sep-2021 | SCO_B3LYP_S16_LS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Minimum | UB3LYP | DEF2TZVP | -2642.48574547; Eh | |||
| 27-Sep-2021 | SCO_M06L_S6_HS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Minimum | UM06L | DEF2TZVP | -3113.88911759; Eh |
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