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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-3-14 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Jan 31 2013 08:47:18) complex | Improved Dimer Method | - | - | -173.27038652; eV | |||
![]() | 8-May-2017 | Cu-3-12 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Jan 31 2013 08:47:18) complex | Improved Dimer Method | - | - | -173.55831214; eV | |||
![]() | 8-May-2017 | Cu-5-03 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex | Improved Dimer Method | - | - | -164.82183435; eV | |||
![]() | 8-May-2017 | Cu-5-08 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex | Improved Dimer Method | - | - | -164.92917572; eV | |||
![]() | 8-May-2017 | Cu-5-07 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Jan 31 2013 08:47:18) complex | Improved Dimer Method | - | - | -165.20857227; eV | |||
![]() | 8-May-2017 | Ru-3-50 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex | Improved Dimer Method | - | - | -356.54686347; eV | |||
![]() | 8-May-2017 | Ru-3-17 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex | Improved Dimer Method | - | - | -362.58626356; eV | |||
![]() | 8-May-2017 | Ru-4-54 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex | Improved Dimer Method | - | - | -353.41231376; eV | |||
![]() | 8-May-2017 | Ru-4-46 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex | Improved Dimer Method | - | - | -352.87679416; eV | |||
![]() | 8-May-2017 | Ru-6-12 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex | Improved Dimer Method | - | - | -345.78516487; eV |
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- 429 Big data
- 429 copper
- 429 ethanol
- 429 glycerol
- 429 Palladium
- 429 Platinum
- 429 Poly-alcohols
- 429 Reaction network
- 429 Ruthenium