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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 3-Nov-2017 | Pd-TPP_TS1 | Fako, Edvin | vasp; 5.4.4; 27Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only | Single point | - | - | -524.32077792; eV | |||
 | 3-Nov-2017 | Pd-atom_TS3 | Fako, Edvin | vasp; 5.4.4; 30Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only | Single point | - | - | -211.65617058; eV | |||
 | 3-Nov-2017 | Pd-atom_TS4 | Fako, Edvin | vasp; 5.4.4; 29Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only | Single point | - | - | -146.63695072; eV | |||
 | 3-Nov-2017 | Pd-TPP_TS4 | Fako, Edvin | vasp; 5.4.4; 20Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only | Single point | - | - | -594.49066603; eV | |||
 | 3-Nov-2017 | Pd-atom_TS1 | Fako, Edvin | vasp; 5.4.4; 37Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only | Single point | - | - | -76.70284968; eV | |||
 | 3-Nov-2017 | Pd-ECN_TS3 | Fako, Edvin | vasp; 5.4.4; 43Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only | Single point | - | - | -2146.67028146; eV | |||
 | 3-Nov-2017 | Pd-ECN_TS1 | Fako, Edvin | vasp; 5.4.4; 46Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only | Single point | - | - | -1981.17071660; eV | |||
 | 3-Nov-2017 | Pd-ECN_TS4 | Fako, Edvin | vasp; 5.4.4; 39Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only | Single point | - | - | -2051.39311195; eV | |||
 | 9-Nov-2017 | Pd-ECN_TS2 | Fako, Edvin | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Single point | - | - | -2152.09677131; eV |
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