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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-4-52 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex | Improved Dimer Method | - | - | -346.73718334; eV | |||
![]() | 8-May-2017 | Ru-3-33 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex | Improved Dimer Method | - | - | -362.41646695; eV | |||
![]() | 8-May-2017 | Ru-4-36 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex | Improved Dimer Method | - | - | -359.39844847; eV | |||
![]() | 8-May-2017 | Ru-4-07 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex | Improved Dimer Method | - | - | -359.75709108; 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-6-10 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex | Improved Dimer Method | - | - | -351.35972294; eV | |||
![]() | 8-May-2017 | Pd-8-06 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex | Improved Dimer Method | - | - | -274.00453204; eV | |||
![]() | 8-May-2017 | Cu-5-15 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex | Improved Dimer Method | - | - | -158.10132680; eV | |||
![]() | 8-May-2017 | Cu-4-45 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Jan 31 2013 08:47:18) complex | Improved Dimer Method | - | - | -162.04790324; eV | |||
![]() | 8-May-2017 | Cu-4-21 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex | Improved Dimer Method | - | - | -161.66960901; eV |
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- 429 Big data
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- 429 ethanol
- 429 Methanol
- 429 Palladium
- 429 Platinum
- 429 Poly-alcohols
- 429 Reaction network
- 429 Ruthenium