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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
8-May-2017 | Ru-3-51 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex | Improved Dimer Method | - | - | -356.74746197; eV | ||||
8-May-2017 | Ru-1-03 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex | Improved Dimer Method | - | - | -370.81600930; eV | ||||
8-May-2017 | Ru-5-16 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex | Improved Dimer Method | - | - | -349.30076612; eV | ||||
8-May-2017 | Ru-3-39 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex | Improved Dimer Method | - | - | -356.42850089; eV | ||||
8-May-2017 | Ru-2-18 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex | Improved Dimer Method | - | - | -360.02236511; eV | ||||
8-May-2017 | Ru-6-13 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex | Improved Dimer Method | - | - | -345.02520646; eV | ||||
8-May-2017 | Ru-2-24 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex | Improved Dimer Method | - | - | -360.20774564; eV | ||||
8-May-2017 | Ru-2-29 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex | Improved Dimer Method | - | - | -360.27544661; eV | ||||
8-May-2017 | Ru-3-27 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex | Improved Dimer Method | - | - | -356.24829688; eV | ||||
8-May-2017 | Ru-3-32 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex | Improved Dimer Method | - | - | -356.04428198; eV |
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- 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