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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_TPSSh_S17_LS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UTPSSh | DEF2TZVP | -2444.66395197; Eh | |||
| 27-Sep-2021 | SCO_TPSSh_S17_HS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UTPSSh | DEF2TZVP | -2444.63740455; Eh | |||
| 27-Sep-2021 | SCO_TPSSh_S15_HS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UTPSSh | DEF2TZVP | -2902.60837006; Eh | |||
| 27-Sep-2021 | SCO_TPSSh_S15_LS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UTPSSh | DEF2TZVP | -2902.62717335; Eh | |||
| 27-Sep-2021 | SCO_TPSSh_S18_HS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UTPSSh | DEF2TZVP | -2832.36173103; Eh | |||
| 27-Sep-2021 | SCO_B3LYPSTAR_S2_HS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UBLYP | DEF2TZVP | -4399.40110196; Eh | |||
| 27-Sep-2021 | SCO_B3LYPSTAR_S2_LS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UBLYP | DEF2TZVP | -4399.42758027; 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_B3LYPSTAR_S1_LS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UBLYP | DEF2TZVP | -3145.97752295; Eh | |||
| 27-Sep-2021 | SCO_B3LYPSTAR_S5_HS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UBLYP | DEF2TZVP | -2696.81288604; Eh |
Results 91-100 of 204 (Search time: 0.001 seconds).