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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_S16_LS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Minimum | UTPSSh | DEF2TZVP | -2642.57237271; Eh | |||
| 27-Sep-2021 | SCO_TPSSh_S18_LS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization Minimum | UTPSSh | DEF2TZVP | -2832.38207813; Eh | |||
| 27-Sep-2021 | SCO_TPSSh_S2_LS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UTPSSh | DEF2TZVP | -4399.98419064; Eh | |||
| 27-Sep-2021 | SCO_TPSSh_S6_HS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UTPSSh | DEF2TZVP | -3114.21836333; Eh | |||
| 27-Sep-2021 | SCO_TPSSh_S5_LS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UTPSSh | DEF2TZVP | -2709.10197098; Eh | |||
| 27-Sep-2021 | SCO_TPSSh_S5_HS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UTPSSh | DEF2TZVP | -2709.08460125; Eh | |||
| 27-Sep-2021 | SCO_TPSSh_S3_HS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UTPSSh | DEF2TZVP | -2866.49817281; Eh | |||
| 27-Sep-2021 | SCO_TPSSh_S4_HS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UTPSSh | DEF2TZVP | -2719.21273828; Eh | |||
| 27-Sep-2021 | SCO_TPSSh_S4_LS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UTPSSh | DEF2TZVP | -2719.23061056; Eh | |||
| 27-Sep-2021 | SCO_TPSSh_S3_LS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Minimum | UTPSSh | DEF2TZVP | -2866.51923233; Eh |
Results 21-30 of 38 (Search time: 0.001 seconds).