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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
18-May-2017 | transition | Higham, Michael | vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex | Frequencies | - | - | -915.68761821; eV | ||||
18-May-2017 | transition | Higham, Michael | vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex | Frequencies | - | - | -916.28117097; eV | ||||
18-May-2017 | transition | Higham, Michael | vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex | Frequencies | - | - | -904.73057174; eV | ||||
18-May-2017 | transition | Higham, Michael | vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex | Frequencies | - | - | -915.35944700; eV | ||||
18-May-2017 | transition | Higham, Michael | vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex | Frequencies | - | - | -899.99420481; eV | ||||
18-May-2017 | transition | Higham, Michael | vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex | Frequencies | - | - | -916.30130953; eV | ||||
18-May-2017 | transition | Higham, Michael | vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex | Frequencies | - | - | -915.51282380; eV | ||||
18-May-2017 | transition | Higham, Michael | vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex | Frequencies | - | - | -915.44135236; eV | ||||
18-May-2017 | transition | Higham, Michael | vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex | Frequencies | - | - | -917.02184208; eV | ||||
18-May-2017 | transition | Higham, Michael | vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex | Frequencies | - | - | -911.98827126; eV |
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