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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 24-Apr-2020 | Pd111_orth_small-hb | Fako, Edvin | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -119.40840774; eV | |||
 | 24-Apr-2020 | Pd111_orth_small-reverse | Fako, Edvin | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -100.75613826; eV | |||
 | 24-Apr-2020 | Pd111_Bsub-h00 | Fako, Edvin | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -203.72435946; eV | |||
 | 24-Apr-2020 | Pd111_Bsub-h01 | Fako, Edvin | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -204.04370218; eV | |||
 | 24-Apr-2020 | Pd111_Bsub-h02 | Fako, Edvin | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -203.89877104; eV | |||
 | 24-Apr-2020 | Pd111_Bsub-h03 | Fako, Edvin | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -203.97450648; eV | |||
 | 24-Apr-2020 | Pd111_Bsub-h04 | Fako, Edvin | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -203.91457553; eV | |||
 | 24-Apr-2020 | Pd111_Bsub-h05 | Fako, Edvin | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -203.95365732; eV | |||
 | 24-Apr-2020 | Pd111_Bsub-h06 | Fako, Edvin | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -203.99845899; eV | |||
 | 24-Apr-2020 | Pd111_Bsub-ac00 | Fako, Edvin | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -225.01634576; eV |
Results 2291-2300 of 2304 (Search time: 0.003 seconds).