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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_B3LYP_S16_HS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Minimum | UB3LYP | DEF2TZVP | -2642.48468306; Eh | |||
| 27-Sep-2021 | SCO_B3LYP_S16_LS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Minimum | UB3LYP | DEF2TZVP | -2642.48574547; Eh | |||
| 27-Sep-2021 | SCO_B3LYP_S7_HS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Minimum | UB3LYP | DEF2TZVP | -5117.50524376; Eh | |||
| 27-Sep-2021 | SCO_B3LYP_S6_LS | Vidal, Daniel | Gaussian; 16; ES64L-G16RevB.01 | Single point Minimum | UB3LYP | DEF2TZVP | -3114.14175826; Eh | |||
 | 21-Feb-2022 | /silane_reactivity TSe | Ortuño Maqueda, Manuel Angel | Gaussian; 16; ES64L-G16RevC.01 | Single point Minimum | UB3LYP | SDD 6-31+G(D,P) 6-31G(D,P) GEN | -1720.85851205; Eh | |||
 | 21-Feb-2022 | /silane_reactivity TSf | Ortuño Maqueda, Manuel Angel | Gaussian; 16; ES64L-G16RevC.01 | Single point Minimum | UB3LYP | SDD 6-31+G(D,P) 6-31G(D,P) GEN | -1796.11762471; Eh | |||
 | 13-Jun-2022 | /Electronic_structure/DFs COF-Co_quartet_B3LYP | Ortuño Maqueda, Manuel Angel | Gaussian; 16; ES64L-G16RevC.01 | Single point Minimum | UB3LYP | DEF2TZVP DEF2SVP GEN | -2528.85785082; Eh | |||
 | 20-Jul-2022 | /Bach_iPr_system Bach_iPr_CA_TS1 | Guo, Wentao | Gaussian; 16; ES64L-G16RevC.01 | Single point Minimum | UB3LYP | GENECP | -4320.06127371; Eh | |||
 | 17-Aug-2023 | TSatoGquartet_log | Tantillo, Dean | Gaussian; 16; ES64L-G16RevC.01 | Single point Minimum | UB3LYP | GEN | -2406.81219556; Eh | |||
 | 17-Aug-2023 | TSatof_log | Tantillo, Dean | Gaussian; 16; ES64L-G16RevC.01 | Single point Minimum | UB3LYP | GEN | -2406.79783243; Eh |
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