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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_B3LYPSTAR_S13_HS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UBLYP | DEF2TZVP | -2661.20234955; Eh | |||
| 27-Sep-2021 | SCO_B3LYPSTAR_S15_HS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UBLYP | DEF2TZVP | -2888.94267115; Eh | |||
| 27-Sep-2021 | SCO_B3LYPSTAR_S13_LS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UBLYP | DEF2TZVP | -2661.21052329; Eh | |||
| 27-Sep-2021 | SCO_B3LYPSTAR_S15_LS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UBLYP | DEF2TZVP | -2888.95170900; Eh | |||
| 27-Sep-2021 | SCO_B3LYPSTAR_S16_HS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UBLYP | DEF2TZVP | -2630.37885422; Eh | |||
| 27-Sep-2021 | SCO_OPBE_S2_HS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UOPBE | DEF2TZVP | -4399.37481623; Eh | |||
| 27-Sep-2021 | SCO_OPBE_S2_LS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UOPBE | DEF2TZVP | -4399.37790563; Eh | |||
| 27-Sep-2021 | SCO_OPBE_S5_HS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UOPBE | DEF2TZVP | -2708.55564325; Eh | |||
| 27-Sep-2021 | SCO_OPBE_S3_HS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UOPBE | DEF2TZVP | -2865.88102844; Eh | |||
| 27-Sep-2021 | SCO_OPBE_S3_LS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UOPBE | DEF2TZVP | -2865.88806070; Eh |
Results 51-60 of 204 (Search time: 0.001 seconds).