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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-4-51 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Jan 31 2013 08:47:18) complex | Improved Dimer Method | - | - | -155.73360452; eV | |||
![]() | 8-May-2017 | Cu-2-30 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Jan 31 2013 08:47:18) complex | Improved Dimer Method | - | - | -169.92329699; eV | |||
![]() | 8-May-2017 | Pd-4-03 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex | Improved Dimer Method | - | - | -283.70686171; eV | |||
![]() | 8-May-2017 | Pd-8-07 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex | Improved Dimer Method | - | - | -278.12787859; eV | |||
![]() | 8-May-2017 | Cu-3-11 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Jan 31 2013 08:47:18) complex | Improved Dimer Method | - | - | -172.93709584; eV | |||
![]() | 8-May-2017 | Cu-4-11 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Jan 31 2013 08:47:18) complex | Improved Dimer Method | - | - | -169.39508183; eV | |||
![]() | 8-May-2017 | Cu-4-29 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex | Improved Dimer Method | - | - | -168.98390242; eV | |||
![]() | 8-May-2017 | Cu-5-16 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex | Improved Dimer Method | - | - | -158.64316600; eV | |||
![]() | 8-May-2017 | Cu-5-09 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex | Improved Dimer Method | - | - | -164.97568434; eV |
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- 429 Big data
- 429 copper
- 429 ethanol
- 429 glycerol
- 429 Methanol
- 429 Palladium
- 429 Platinum
- 429 Poly-alcohols
- 429 Reaction network