Search
Add filters:
Use filters to refine the search results.
Item hits:
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 28-Jan-2021 | /Single_points MECP1-bs2-t | Lopez Resano, Sara | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | UM06 | 6-311++G** GENECP | -1749.3977942; Eh | |||
 | 28-Jan-2021 | /Single_points TS3-t-2+ | Lopez Resano, Sara | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | UM06 | 6-311++G** GENECP | -1748.9691879; Eh | |||
 | 1-Sep-2023 | Cplx1 | Xie, Jiale | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | UM06 | DEF2TZVP | -1127.4641677; Eh | |||
| 1-Sep-2023 | TS12 | Xie, Jiale | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | UM06 | DEF2TZVP | -1127.4434353; Eh | |||
| 1-Sep-2023 | Cplx2 | Xie, Jiale | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | UM06 | DEF2TZVP | -1127.4823263; Eh | |||
| 1-Sep-2023 | B-1a | Xie, Jiale | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | UM06 | DEF2TZVP | -1456.0459921; Eh | |||
| 1-Sep-2023 | B1-1a | Xie, Jiale | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | UM06 | DEF2TZVP | -1982.8859895; Eh | |||
| 1-Sep-2023 | TSAB-1a | Xie, Jiale | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | UM06 | DEF2TZVP | -1982.8601183; Eh | |||
| 1-Sep-2023 | A1-1a | Xie, Jiale | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | UM06 | DEF2TZVP | -1982.8698276; Eh | |||
| 1-Sep-2023 | HFIPradical | Xie, Jiale | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | UM06 | DEF2TZVP | -789.2078654; Eh |
Results 21-30 of 110 (Search time: 0.002 seconds).