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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
![]() | 8-May-2017 | Cu-6-04 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex | Improved Dimer Method | - | - | -161.69456838; eV | |||
![]() | 8-May-2017 | Cu-3-23 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Jan 31 2013 08:47:18) complex | Improved Dimer Method | - | - | -165.50402407; eV | |||
![]() | 8-May-2017 | Cu-8-01 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex | Improved Dimer Method | - | - | -149.61106892; eV | |||
![]() | 8-May-2017 | Cu-4-56 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex | Improved Dimer Method | - | - | -163.00304382; eV | |||
![]() | 8-May-2017 | Cu-7-05 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Jan 31 2013 08:47:18) complex | Improved Dimer Method | - | - | -157.70323072; eV | |||
![]() | 8-May-2017 | Cu-4-52 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex | Improved Dimer Method | - | - | -155.46403616; eV | |||
![]() | 8-May-2017 | Cu-4-50 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Jan 31 2013 08:47:18) complex | Improved Dimer Method | - | - | -155.63635692; eV | |||
![]() | 8-May-2017 | Cu-8-02 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex | Improved Dimer Method | - | - | -139.18313864; eV | |||
![]() | 8-May-2017 | Cu-1-08 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Jan 31 2013 08:47:18) complex | Improved Dimer Method | - | - | -174.45906515; eV | |||
![]() | 8-May-2017 | Cu-1-07 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Jan 31 2013 08:47:18) complex | Improved Dimer Method | - | - | -174.74386775; eV |
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- 429 Big data
- 429 copper
- 429 ethanol
- 429 Methanol
- 429 Platinum
- 429 Poly-alcohols
- 429 Reaction network
- 429 Ruthenium
Program name
- 429 vasp