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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 28-Sep-2022 | /FG_dataset/aromatics2/cd/0001 cd-86S1-a | Morandi, Santiago | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -134.61120160; eV | |||
 | 28-Sep-2022 | /FG_dataset/aromatics2/cd/0001 cd-8612-a | Morandi, Santiago | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -136.35451630; eV | |||
 | 28-Sep-2022 | /FG_dataset/aromatics2/cd/0001 cd-8611-a | Morandi, Santiago | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -136.87838543; eV | |||
 | 28-Sep-2022 | /FG_dataset/aromatics2/au/111 au-a801-a | Morandi, Santiago | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -271.31370513; eV | |||
 | 28-Sep-2022 | /FG_dataset/aromatics2/au/111 au-9802-a | Morandi, Santiago | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -261.15692716; eV | |||
 | 28-Sep-2022 | /FG_dataset/aromatics2/au/111 au-9801-a | Morandi, Santiago | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -261.79317891; eV | |||
 | 28-Sep-2022 | /FG_dataset/aromatics2/au/111 au-97N2-a | Morandi, Santiago | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -266.49291069; eV | |||
 | 28-Sep-2022 | /FG_dataset/aromatics2/au/111 au-97N1-a | Morandi, Santiago | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -266.51857339; eV | |||
 | 28-Sep-2022 | /FG_dataset/aromatics2/au/111 au-87N2-a | Morandi, Santiago | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -257.42778786; eV | |||
 | 28-Sep-2022 | /FG_dataset/aromatics2/au/111 au-87N1-a | Morandi, Santiago | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -257.74721849; eV |
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