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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 17-Oct-2017 | /Gas_Geometries G8 | Li, Qiang | vasp; 5.3.3; 18Dez12 (build Jun 22 2017 15:26:47) complex | N/A | - | - | -168.75970212; eV | |||
 | 17-Oct-2017 | /Gas_Geometries G2 | Li, Qiang | vasp; 5.3.3; 18Dez12 (build Jun 22 2017 15:26:47) complex | N/A | - | - | -153.68094671; eV | |||
 | 17-Oct-2017 | /Gas_Geometries G5 | Li, Qiang | vasp; 5.3.3; 18Dez12 (build Jun 22 2017 15:26:47) complex | N/A | - | - | -168.71861874; eV | |||
 | 17-Oct-2017 | /Gas_Geometries G1 | Li, Qiang | vasp; 5.3.3; 18Dez12 (build Jun 22 2017 15:26:47) complex | N/A | - | - | -153.63851666; eV | |||
 | 17-Oct-2017 | /Gas_Geometries D | Li, Qiang | vasp; 5.3.3; 18Dez12 (build Jun 22 2017 15:26:47) complex | N/A | - | - | -266.66446596; eV | |||
 | 17-Oct-2017 | /Gas_Geometries 2_methoyxphenol | Li, Qiang | vasp; 5.3.3; 18Dez12 (build Jun 22 2017 15:26:47) complex | N/A | - | - | -105.64672849; eV | |||
 | 17-Oct-2017 | /Solvation/h2o G7 | Li, Qiang | vasp; 5.3.3; 18Dez12 (build Jun 22 2017 15:26:47) complex | N/A | - | - | -162.75013396; eV | |||
 | 17-Oct-2017 | /Gas_Geometries G3 | Li, Qiang | vasp; 5.3.3; 18Dez12 (build Jun 22 2017 15:26:47) complex | N/A | - | - | -160.79311031; eV | |||
 | 17-Oct-2017 | /Solvation/h2o D | Li, Qiang | vasp; 5.3.3; 18Dez12 (build Jun 22 2017 15:26:47) complex | N/A | - | - | -267.70406218; eV | |||
 | 17-Oct-2017 | /Solvation/h2o C | Li, Qiang | vasp; 5.3.3; 18Dez12 (build Jun 22 2017 15:26:47) complex | N/A | - | - | -267.66353511; eV |
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