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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_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 | |||
| 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_S5_LS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Minimum | UM06L | DEF2TZVP | -2708.78406746; Eh | |||
| 27-Sep-2021 | SCO_M06L_S16_HS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Minimum | UM06L | DEF2TZVP | -2642.25259516; Eh | |||
| 27-Sep-2021 | SCO_M06L_S16_LS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Minimum | UM06L | DEF2TZVP | -2642.24802615; Eh | |||
| 27-Sep-2021 | SCO_TPSSh_S3_LS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Minimum | UTPSSh | DEF2TZVP | -2866.51923233; Eh | |||
| 27-Sep-2021 | SCO_TPSSh_S11_HS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Minimum | UTPSSh | DEF2TZVP | -8013.42650283; Eh | |||
| 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_S7_HS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Minimum | UOPBE | DEF2TZVP | -5117.69303147; Eh |
Results 51-60 of 214 (Search time: 0.001 seconds).