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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 1-Sep-2023 | 1a | Xie, Jiale | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | RM06 | DEF2TZVP | -1456.6900584; Eh | |||
| 1-Sep-2023 | 1j | Xie, Jiale | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | RM06 | DEF2TZVP | -1342.1760974; Eh | |||
| 1-Sep-2023 | Cplx1 | Xie, Jiale | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | UM06 | DEF2TZVP | -1127.4641677; Eh | |||
| 1-Sep-2023 | D1-1a | Xie, Jiale | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | RM06 | DEF2TZVP | -2245.3596462; Eh | |||
| 1-Sep-2023 | TS12 | Xie, Jiale | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | UM06 | DEF2TZVP | -1127.4434353; Eh | |||
| 1-Sep-2023 | TSCD-1a | Xie, Jiale | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | RM06 | DEF2TZVP | -1455.8877376; Eh | |||
| 1-Sep-2023 | C-1a | Xie, Jiale | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | RM06 | DEF2TZVP | -1455.8924423; Eh | |||
| 1-Sep-2023 | Cplx2 | Xie, Jiale | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | UM06 | DEF2TZVP | -1127.4823263; Eh | |||
| 1-Sep-2023 | D-1a | Xie, Jiale | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | RM06 | DEF2TZVP | -1455.9065347; Eh | |||
| 1-Sep-2023 | B-1a | Xie, Jiale | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | UM06 | DEF2TZVP | -1456.0459921; Eh |
Results 1-10 of 32 (Search time: 0.002 seconds).