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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-1-08 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex | Improved Dimer Method | - | - | -363.97735931; eV | ||||
8-May-2017 | Ru-2-08 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex | Improved Dimer Method | - | - | -365.77097287; eV | ||||
8-May-2017 | Ru-6-11 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex | Improved Dimer Method | - | - | -351.74918079; eV | ||||
8-May-2017 | Ru-3-24 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex | Improved Dimer Method | - | - | -357.00653993; eV | ||||
8-May-2017 | Ru-3-43 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex | Improved Dimer Method | - | - | -350.25489858; eV | ||||
8-May-2017 | Ru-3-07 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex | Improved Dimer Method | - | - | -362.89229428; eV | ||||
8-May-2017 | Ru-7-03 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex | Improved Dimer Method | - | - | -342.17910288; eV | ||||
8-May-2017 | Ru-4-23 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex | Improved Dimer Method | - | - | -352.83906462; eV | ||||
8-May-2017 | Ru-5-08 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex | Improved Dimer Method | - | - | -355.38976052; eV | ||||
8-May-2017 | Ru-3-26 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex | Improved Dimer Method | - | - | -356.41872149; 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