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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 10-Sep-2019 | 2_ads-m_t-5 | Mates Torres, Eric | vasp; 5.4.1; 24Jun15 (build Jun 13 2018 12:02:29) complex | Geometry optimization | DFT | - | -364.71429229; eV | |||
 | 10-Sep-2019 | 2_ads-m_t-2 | Mates Torres, Eric | vasp; 5.4.1; 24Jun15 (build Jun 13 2018 12:02:29) complex | Geometry optimization | DFT | - | -364.77886319; eV | |||
 | 10-Sep-2019 | 2_ads-m_m-3 | Mates Torres, Eric | vasp; 5.4.1; 24Jun15 (build Jun 13 2018 12:02:29) complex | Geometry optimization | DFT | - | -363.22574952; eV | |||
 | 10-Sep-2019 | 2_ads-m_m-1 | Mates Torres, Eric | vasp; 5.4.1; 24Jun15 (build Jun 13 2018 12:02:29) complex | Geometry optimization | DFT | - | -363.35611009; eV | |||
 | 10-Sep-2019 | Cysteine_molecule | Mates Torres, Eric | vasp; 5.4.1; 24Jun15 (build Dec 20 2017 10:32:10) gamma-only | Geometry optimization | DFT | - | -73.42876860; eV | |||
 | 10-Sep-2019 | 4_ads-m_t_t_m-1 | Mates Torres, Eric | vasp; 5.4.1; 24Jun15 (build Jun 13 2018 12:02:29) complex | Geometry optimization | DFT | - | -511.13796981; eV | |||
 | 10-Sep-2019 | 3_ads-m_t_t-2 | Mates Torres, Eric | vasp; 5.4.1; 24Jun15 (build Jun 13 2018 12:02:29) complex | Geometry optimization | DFT | - | -439.01040177; eV | |||
 | 10-Sep-2019 | 3_ads-b_t_t-3 | Mates Torres, Eric | vasp; 5.4.1; 24Jun15 (build Jun 13 2018 12:02:29) complex | Geometry optimization | DFT | - | -439.11655786; eV | |||
 | 10-Sep-2019 | 2_ads-b_b-3 | Mates Torres, Eric | vasp; 5.4.1; 24Jun15 (build Jun 13 2018 12:02:29) complex | Geometry optimization | DFT | - | -364.88258417; eV | |||
 | 10-Sep-2019 | 1_ads-t-4 | Mates Torres, Eric | vasp; 5.4.1; 24Jun15 (build Jun 13 2018 12:02:29) complex | Geometry optimization | DFT | - | -291.47854430; eV |
Results 21-30 of 160 (Search time: 0.002 seconds).