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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 24-Oct-2023 | dir_Ag140_6oxy_4fold,_pDOS | Bruix, Albert | vasp; 5.4.1; 24Jun15 (build Nov 08 2016 15:58:32) gamma-only | Single point | DFT | - | -380.12313964; eV | |||
 | 24-Oct-2023 | dir_Ag140_6oxy_4fold,_bader | Bruix, Albert | vasp; 5.4.1; 24Jun15 (build Nov 08 2016 15:58:32) gamma-only | Single point | DFT | - | -380.12313964; eV | |||
 | 24-Oct-2023 | dir_Ag140_6oxy_3fold_edges,_analysis | Bruix, Albert | vasp; 5.4.1; 24Jun15 (build Nov 08 2016 15:58:32) gamma-only | Single point | DFT | - | -379.01602258; eV | |||
 | 24-Oct-2023 | dir_Ag140_3fold_central_edges,_analysis | Bruix, Albert | vasp; 5.4.1; 24Jun15 (build Nov 08 2016 15:58:32) gamma-only | Single point | DFT | - | -379.00532546; eV | |||
 | 6-Dec-2023 | pt2_9e13o_1D | Vlaisavljevich, Bess | Molcas; 23.02 | Single point | CASSCF; CASPT2 | ANO-RCC | - | |||
 | 6-Dec-2023 | pt2_9e13o_1D | Vlaisavljevich, Bess | Molcas; 23.02 | Single point | CASSCF; CASPT2 | ANO-RCC | - | |||
 | 6-Dec-2023 | neutral_geom_10e18o_triplet | Vlaisavljevich, Bess | Molcas; 23.02 | Single point | CASSCF | ANO-RCC | - | |||
 | 6-Dec-2023 | neutral_geom_10e18o_quintet | Vlaisavljevich, Bess | Molcas; 23.02 | Single point | CASSCF | ANO-RCC | - | |||
 | 6-Dec-2023 | neutral_quartet_point5 | Vlaisavljevich, Bess | Molcas; 23.02 | Single point | CASSCF; CASPT2 | ANO-RCC | - | |||
 | 6-Dec-2023 | anion_triplet_point5 | Vlaisavljevich, Bess | Molcas; 23.02 | Single point | CASSCF; CASPT2 | ANO-RCC | - |
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