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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 10-Sep-2019 | 1_ads-t-1 | Mates Torres, Eric | vasp; 5.4.1; 24Jun15 (build Jun 13 2018 12:02:29) complex | Geometry optimization | DFT | - | -291.47581009; eV | |||
 | 10-Sep-2019 | 1_ads-b-3 | Mates Torres, Eric | vasp; 5.4.1; 24Jun15 (build Jun 30 2015 22:17:36) complex | Geometry optimization | DFT | - | -291.38489131; eV | |||
 | 10-Sep-2019 | 1_ads-b-4 | Mates Torres, Eric | vasp; 5.4.1; 24Jun15 (build Jun 13 2018 12:02:29) complex | Geometry optimization | DFT | - | -291.52538447; eV | |||
 | 10-Sep-2019 | 1_ads-b-2 | Mates Torres, Eric | vasp; 5.4.1; 24Jun15 (build Jun 13 2018 12:02:29) complex | Geometry optimization | DFT | - | -291.40395596; eV | |||
 | 10-Sep-2019 | 1_ads-b-1 | Mates Torres, Eric | vasp; 5.4.1; 24Jun15 (build Jun 30 2015 22:17:36) complex | Geometry optimization | DFT | - | -291.47929367; eV | |||
 | 10-Sep-2019 | 4_ads-m_t_t_m-2 | Mates Torres, Eric | vasp; 5.4.1; 24Jun15 (build Jun 13 2018 12:02:29) complex | Geometry optimization | DFT | - | -510.93311192; eV | |||
 | 10-Sep-2019 | 4_ads-b_b_b_m-1 | Mates Torres, Eric | vasp; 5.4.1; 24Jun15 (build Jun 13 2018 12:02:29) complex | Geometry optimization | DFT | - | -510.44031379; eV | |||
 | 10-Sep-2019 | 3_ads-m_m_m-2 | Mates Torres, Eric | vasp; 5.4.1; 24Jun15 (build Jun 13 2018 12:02:29) complex | Geometry optimization | DFT | - | -437.33279111; eV | |||
 | 10-Sep-2019 | 3_ads-m_b_t-2 | Mates Torres, Eric | vasp; 5.4.1; 24Jun15 (build Jun 13 2018 12:02:29) complex | Geometry optimization | DFT | - | -438.57857353; eV | |||
 | 10-Sep-2019 | 3_ads-m_b_b-1 | Mates Torres, Eric | vasp; 5.4.1; 24Jun15 (build Jun 13 2018 12:02:29) complex | Geometry optimization | DFT | - | -438.10793895; eV |
Results 31-40 of 160 (Search time: 0.001 seconds).