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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 10-Sep-2019 | 4_ads-m_m_m_m-1 | Mates Torres, Eric | vasp; 5.4.1; 24Jun15 (build Jul 8 2016 11:28:16) complex | Geometry optimization | DFT | - | -510.31680976; eV | |||
 | 10-Sep-2019 | 4_ads-m_m_m_m-2 | Mates Torres, Eric | vasp; 5.4.1; 24Jun15 (build Jun 13 2018 12:02:29) complex | Geometry optimization | DFT | - | -510.31166293; eV | |||
 | 10-Sep-2019 | 4_ads-b_b_t_m-1 | Mates Torres, Eric | vasp; 5.4.1; 24Jun15 (build Jun 13 2018 12:02:29) complex | Geometry optimization | DFT | - | -511.41243273; eV | |||
 | 10-Sep-2019 | 4_ads-b_b_t_b-1 | Mates Torres, Eric | vasp; 5.4.1; 24Jun15 (build Jun 13 2018 12:02:29) complex | Geometry optimization | DFT | - | -511.28841833; eV | |||
 | 10-Sep-2019 | 3_ads-m_t_t-1 | Mates Torres, Eric | vasp; 5.4.1; 24Jun15 (build Jun 13 2018 12:02:29) complex | Geometry optimization | DFT | - | -438.94363760; eV | |||
 | 10-Sep-2019 | 3_ads-b_b_b-1 | Mates Torres, Eric | vasp; 5.4.1; 24Jun15 (build Jun 13 2018 12:02:29) complex | Geometry optimization | DFT | - | -438.52980713; eV | |||
 | 10-Sep-2019 | 2_ads-t_t-3 | Mates Torres, Eric | vasp; 5.4.1; 24Jun15 (build Jun 13 2018 12:02:29) complex | Geometry optimization | DFT | - | -364.92810193; eV | |||
 | 10-Sep-2019 | 2_ads-m_t-1 | Mates Torres, Eric | vasp; 5.4.1; 24Jun15 (build Jun 13 2018 12:02:29) complex | Geometry optimization | DFT | - | -364.95261649; eV | |||
 | 10-Sep-2019 | 2_ads-m_m-2 | Mates Torres, Eric | vasp; 5.4.1; 24Jun15 (build Jun 13 2018 12:02:29) complex | Geometry optimization | DFT | - | -363.31576296; eV | |||
 | 10-Sep-2019 | 2_ads-b_t-3 | Mates Torres, Eric | vasp; 5.4.1; 24Jun15 (build Jun 13 2018 12:02:29) complex | Geometry optimization | DFT | - | -365.15456625; eV |
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