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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 15-Nov-2016 | C3-K-gas | Lang, Zhong Ling | vasp; 5.3.5; 31Mar14 (build Feb 19 2015 11:02:36) complex | Geometry optimization | - | - | -769.24442377; eV | |||
| 15-Nov-2016 | Facing-K-sol | Lang, Zhong Ling | vasp; 5.3.5; 31Mar14 (build Feb 19 2015 11:02:36) complex | Geometry optimization | - | - | -775.14754492; eV | |||
| 15-Nov-2016 | s4-k-gas | Lang, Zhong Ling | vasp; 5.3.5; 31Mar14 (build Feb 19 2015 11:02:36) complex | Geometry optimization | - | - | -769.19422457; eV | |||
| 15-Nov-2016 | Facing-sol | Lang, Zhong Ling | vasp; 5.3.5; 31Mar14 (build Feb 19 2015 11:02:36) complex | Geometry optimization | - | - | -775.01509331; eV | |||
| 15-Nov-2016 | C3-K-sol | Lang, Zhong Ling | vasp; 5.3.5; 31Mar14 (build Feb 19 2015 11:02:36) complex | Geometry optimization | - | - | -775.67340493; eV | |||
| 15-Nov-2016 | Facing-gas | Lang, Zhong Ling | vasp; 5.3.5; 31Mar14 (build Feb 19 2015 11:02:36) complex | Geometry optimization | - | - | -767.94023186; eV | |||
| 15-Nov-2016 | S4-k-sol | Lang, Zhong Ling | vasp; 5.3.5; 31Mar14 (build Feb 19 2015 11:02:36) complex | Geometry optimization | - | - | -775.85138437; eV | |||
| 15-Nov-2016 | s4-sol | Lang, Zhong Ling | vasp; 5.3.5; 31Mar14 (build Feb 19 2015 11:02:36) complex | Geometry optimization | - | - | -775.64886198; eV | |||
| 15-Nov-2016 | C3-gas | Lang, Zhong Ling | vasp; 5.3.5; 31Mar14 (build Feb 19 2015 11:02:36) complex | Geometry optimization | - | - | -768.98343454; eV | |||
| 15-Nov-2016 | C3-sol | Lang, Zhong Ling | vasp; 5.3.5; 31Mar14 (build Feb 19 2015 11:02:36) complex | Geometry optimization | - | - | -775.56729847; eV |
Results 1-10 of 12 (Search time: 0.001 seconds).