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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_S13_LS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UTPSSh | DEF2TZVP | -2673.47021856; Eh | |||
| 27-Sep-2021 | SCO_TPSSh_S13_HS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UTPSSh | DEF2TZVP | -2673.45201021; 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_S16_LS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Minimum | UTPSSh | DEF2TZVP | -2642.57237271; Eh | |||
| 27-Sep-2021 | SCO_B3LYPSTAR_S9_LS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UBLYP | DEF2TZVP | -3100.90138196; Eh | |||
| 27-Sep-2021 | SCO_B3LYPSTAR_S7_LS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UBLYP | DEF2TZVP | -5100.70158600; Eh | |||
| 27-Sep-2021 | SCO_B3LYPSTAR_S7_HS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Minimum | UBLYP | DEF2TZVP | -5100.69107469; Eh | |||
| 27-Sep-2021 | SCO_B3LYPSTAR_S9_HS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UBLYP | DEF2TZVP | -3100.89427510; Eh | |||
| 27-Sep-2021 | SCO_B3LYPSTAR_S6_LS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UBLYP | DEF2TZVP | -3100.35535821; Eh | |||
| 27-Sep-2021 | SCO_B3LYPSTAR_S6_HS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UBLYP | DEF2TZVP | -3100.34571980; Eh |
Results 81-90 of 240 (Search time: 0.002 seconds).