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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_S6_LS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Minimum | UTPSSh | DEF2TZVP | -3114.23741807; Eh | |||
| 27-Sep-2021 | SCO_TPSSh_S8_HS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UTPSSh | DEF2TZVP | -2791.25755719; 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_S18_HS_OLD | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UTPSSh | DEF2TZVP | -2832.32771957; Eh | |||
| 27-Sep-2021 | SCO_TPSSh_S18_LS_OLD | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UTPSSh | DEF2TZVP | -2832.33430018; Eh | |||
| 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_S16_HS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Minimum | UTPSSh | DEF2TZVP | -2642.55475765; 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_TPSSh_S18_LS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization Minimum | UTPSSh | DEF2TZVP | -2832.38207813; Eh |
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