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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_S5_LS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Minimum | UOPBE | DEF2TZVP | -2708.55571288; Eh | |||
| 27-Sep-2021 | SCO_OLYP_S10_LS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Minimum | UOLYP | DEF2TZVP | -2718.79347243; Eh | |||
 | 30-May-2022 | TS1 | Prasad, Supreeth | Gaussian; 16; ES64L-G16RevA.03 | Single point Minimum | RB3LYP | DEF2SVP | -1207.71800786; Eh | |||
 | 30-May-2022 | TS5 | Prasad, Supreeth | Gaussian; 16; ES64L-G16RevA.03 | Single point Minimum | RB3LYP | DEF2SVP | -1096.62195861; 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_OLYP_S5_LS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Minimum | UOLYP | DEF2TZVP | -2708.74404772; Eh | |||
| 27-Sep-2021 | SCO_B3LYP_S18_LS_OLD | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Minimum | UB3LYP | DEF2TZVP | -2832.23878577; Eh | |||
| 27-Sep-2021 | SCO_TPSSh_S16_LS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Minimum | UTPSSh | DEF2TZVP | -2642.57237271; Eh | |||
| 27-Sep-2021 | SCO_B3LYPSTAR_S7_HS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Minimum | UBLYP | DEF2TZVP | -5100.69107469; Eh |
Results 41-50 of 249 (Search time: 0.002 seconds).