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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 28-Feb-2017 | /PuS2(2+)/S=2 Linear_S=2 | Bandeira, Nuno | Molcas; v8.0.15-06-18 | Single point | CASSCF; CASPT2 | ANO-RCC | - | |||
 | 28-Feb-2017 | /PuS2(2+)/S=1 Linear_S=1 | Bandeira, Nuno | Molcas; v8.0.14-09-21 | Single point | CASSCF; CASPT2 | ANO-RCC | - | |||
 | 28-Feb-2017 | /UO2(2+) Triplet_eta2-UO2(2+)_CAS(4,8)PT2 | Bandeira, Nuno | Molcas; v8.0.14-09-21 | Single point | CASSCF; CASPT2 | ANO-RCC | - | |||
 | 28-Feb-2017 | /UO2(2+) Triplet_CAS(4,8)PT2_single_point | Bandeira, Nuno | Molcas; v8.0.14-09-21 | Single point | CASSCF; CASPT2 | ANO-RCC | - | |||
 | 28-Feb-2017 | /UO2(2+) Quintet_eta2-UO2(2+)_CAS(4,8)PT2 | Bandeira, Nuno | Molcas; v8.0.14-09-21 | Single point | CASSCF; CASPT2 | ANO-RCC | - | |||
 | 28-Feb-2017 | /PuS2(2+)/S=0 triangular_S=0_ | Bandeira, Nuno | Molcas; v8.0.14-09-21 | Single point | CASSCF; CASPT2 | 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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- 27 Molcas