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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 21-Oct-2021 | 11rd_t | Mates Torres, Eric | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 18 2020 15:29:06) complex | Geometry optimization | DFT | - | -159.21255834; eV | |||
 | 21-Oct-2021 | 44rd | Mates Torres, Eric | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 18 2020 15:29:06) complex | Geometry optimization | DFT | - | -159.16569674; eV | |||
 | 21-Oct-2021 | 21r | Mates Torres, Eric | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 18 2020 15:29:06) complex | Geometry optimization | DFT | - | -159.14836754; eV | |||
 | 21-Oct-2021 | 12r | Mates Torres, Eric | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 18 2020 15:29:06) complex | Geometry optimization | DFT | - | -159.20486145; eV | |||
 | 21-Oct-2021 | Glu_tridentate | Mates Torres, Eric | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 18 2020 15:29:06) complex | Geometry optimization | DFT | - | -384.85621940; eV | |||
 | 21-Oct-2021 | Glu_bidentate-3 | Mates Torres, Eric | vasp; 6.2.0; 18Jan21 (build Sep 03 2021 23:55:50) complex | Geometry optimization | DFT | - | -384.52098377; eV | |||
 | 21-Oct-2021 | Bulk | Mates Torres, Eric | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complex | Geometry optimization | DFT | - | -43.64842110; eV | |||
 | 21-Oct-2021 | Surface | Mates Torres, Eric | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 18 2020 15:29:06) complex | Geometry optimization | DFT | - | -75.64851158; eV | |||
 | 21-Oct-2021 | 11r | Mates Torres, Eric | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 18 2020 15:29:06) complex | Geometry optimization | DFT | - | -159.12047117; eV | |||
 | 21-Oct-2021 | H2O | Mates Torres, Eric | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 18 2020 15:29:06) complex | Geometry optimization | DFT | - | -15.00239232; eV |
Results 11-20 of 27 (Search time: 0.001 seconds).