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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
21-Jun-2017 | Os-2113 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex | Geometry optimization | - | - | -547.61998321; eV | ||||
21-Jun-2017 | Ni-2423 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex | Geometry optimization | - | - | -297.68502495; eV | ||||
21-Jun-2017 | Os-0211 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex | Geometry optimization | - | - | -533.45774613; eV | ||||
21-Jun-2017 | Os-1301 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex | Geometry optimization | - | - | -539.13324392; eV | ||||
21-Jun-2017 | Os-1201 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex | Geometry optimization | - | - | -535.32411502; eV | ||||
21-Jun-2017 | Os-1101 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex | Geometry optimization | - | - | -532.05126552; eV | ||||
21-Jun-2017 | Os-0011 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex | Geometry optimization | - | - | -526.35897338; eV | ||||
21-Jun-2017 | Os-0111 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex | Geometry optimization | - | - | -529.56520449; eV | ||||
21-Jun-2017 | Os-0021 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex | Geometry optimization | - | - | -530.35107227; eV | ||||
21-Jun-2017 | Os-1001 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex | Geometry optimization | - | - | -527.78690230; eV |
Results 1661-1670 of 2312 (Search time: 0.002 seconds).
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Subject
Program name
- 2312 vasp
Calculation type
- 2100 Geometry optimization
- 210 Frequencies
- 2 Single point
Method
- 1388 DFT