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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 21-Apr-2021 | _Fe1_CO_TS2 | Ruiz, Andrea | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only | Single point | DFT | - | -1970.03929185; eV | |||
 | 21-Apr-2021 | _Fe1_CO_TS3 | Ruiz, Andrea | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Single point | DFT | - | -1978.56191352; eV | |||
 | 21-Apr-2021 | _Fe1_CO_TS1 | Ruiz, Andrea | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only | Single point | DFT | - | -1970.03929185; eV | |||
 | 21-Apr-2021 | _Fe1_CO_TS4 | Ruiz, Andrea | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Single point | DFT | - | -1977.60252942; eV | |||
 | 21-Apr-2021 | _Fe1_CO_TSH | Ruiz, Andrea | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Single point | DFT | - | -1961.76191040; eV | |||
 | 21-Apr-2021 | _Fe3_CO_TS2 | Ruiz, Andrea | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Single point | DFT | - | -1986.25005937; eV |
Results 11-16 of 16 (Search time: 0.001 seconds).