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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-5-17 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex | Improved Dimer Method | - | - | -158.60818442; eV | |||
![]() | 8-May-2017 | Cu-4-03 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Jan 31 2013 08:47:18) complex | Improved Dimer Method | - | - | -169.08771249; eV | |||
![]() | 8-May-2017 | Cu-5-21 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex | Improved Dimer Method | - | - | -158.36584813; eV | |||
![]() | 8-May-2017 | Cu-3-16 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Jan 31 2013 08:47:18) complex | Improved Dimer Method | - | - | -173.83209607; eV | |||
![]() | 8-May-2017 | Cu-4-26 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Jan 31 2013 08:47:18) complex | Improved Dimer Method | - | - | -169.41392469; eV | |||
![]() | 8-May-2017 | Cu-4-30 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Jan 31 2013 08:47:18) complex | Improved Dimer Method | - | - | -169.44131889; eV | |||
![]() | 8-May-2017 | Cu-3-15 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Jan 31 2013 08:47:18) complex | Improved Dimer Method | - | - | -172.92159874; eV | |||
![]() | 8-May-2017 | Cu-4-15 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex | Improved Dimer Method | - | - | -168.40232774; eV | |||
![]() | 8-May-2017 | Cu-4-09 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Jan 31 2013 08:47:18) complex | Improved Dimer Method | - | - | -169.60310912; eV | |||
![]() | 8-May-2017 | Cu-3-06 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Jan 31 2013 08:47:18) complex | Improved Dimer Method | - | - | -172.63771003; eV |
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Subject
- 429 Big data
- 429 copper
- 429 ethanol
- 429 glycerol
- 429 Methanol
- 429 Platinum
- 429 Poly-alcohols
- 429 Reaction network
- 429 Ruthenium
Program name
- 429 vasp