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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_S12_HS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UTPSSh | DEF2TZVP | -4077.69180373; Eh | |||
| 27-Sep-2021 | SCO_TPSSh_S12_LS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UTPSSh | DEF2TZVP | -4077.70787716; Eh | |||
| 27-Sep-2021 | SCO_TPSSh_S11_LS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UTPSSh | DEF2TZVP | -8013.44778321; Eh | |||
| 27-Sep-2021 | SCO_TPSSh_S14_HS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UTPSSh | GENECP | -3460.51818391; 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_S13_LS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UTPSSh | DEF2TZVP | -2673.47021856; Eh | |||
| 27-Sep-2021 | SCO_B3LYPSTAR_S17_HS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UBLYP | DEF2TZVP | -2433.96628684; Eh | |||
| 27-Sep-2021 | SCO_B3LYPSTAR_S18_LS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UBLYP | DEF2TZVP | -2819.07646446; Eh | |||
| 27-Sep-2021 | SCO_B3LYPSTAR_S18_HS_OLD | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UBLYP | DEF2TZVP | -2819.03207165; Eh | |||
| 27-Sep-2021 | SCO_B3LYPSTAR_S18_LS_OLD | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UBLYP | DEF2TZVP | -2819.02875522; Eh |
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