Search
Add filters:
Use filters to refine the search results.
Item hits:
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 8-May-2017 | Ru-36202 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex | Geometry optimization | - | - | -380.68296887; eV | |||
 | 8-May-2017 | Ru-31205 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex | Geometry optimization | - | - | -362.40924463; eV | |||
 | 8-May-2017 | Pt-1312 | García Muelas, Rodrigo | vasp; 5.3.5; 31Mar14 (build May 13 2015 15:04:06) complex | Geometry optimization | - | - | -309.91771054; eV | |||
 | 8-May-2017 | Pt-2112 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex | Geometry optimization | - | - | -311.27940835; eV | |||
 | 8-May-2017 | Ru-3-18 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex | Improved Dimer Method | - | - | -363.39612949; eV | |||
 | 8-May-2017 | Ru-3-28 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex | Improved Dimer Method | - | - | -355.73405178; eV | |||
 | 8-May-2017 | Pd-9-22 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex | Geometry optimization | - | - | -254.65275029; eV | |||
 | 8-May-2017 | Pd-5-26 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex | Geometry optimization | - | - | -272.58738105; eV | |||
 | 8-May-2017 | Ru-2001 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex | Geometry optimization | - | - | -334.76696436; eV |
Results 1561-1569 of 1569 (Search time: 0.002 seconds).
Discover
Subject
- 1569 Big data
- 1569 copper
- 1569 Palladium
- 1569 Poly-alcohols
- 1569 Reaction network
- 1569 Ruthenium