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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
28-Feb-2017 | /ThS2(2+) ThS2(2+)_triangular | Bandeira, Nuno | Molcas; v8.0.14-09-21 | Single point | HF | ANO-RCC | - | ||||
28-Feb-2017 | /US2(2+)/S=0 MP2_Optimisation,_linear_molecule | Bandeira, Nuno | Molcas; v8.0.14-09-21 | Single point | HF | ANO-RCC | - | ||||
28-Feb-2017 | /ThS2(2+) ThS2(2+)_linear | Bandeira, Nuno | Molcas; v8.0.14-09-21 | Single point | HF | ANO-RCC | - |
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