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. |
---|---|---|---|---|---|---|---|---|---|---|---|
1-Dec-2016 | /gas la | Li, Qiang | vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex | Geometry optimization | - | - | -95.54118955; eV | ||||
1-Dec-2016 | /intermediateds 25_c | Li, Qiang | vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex | Geometry optimization | - | - | -656.56189500; eV | ||||
1-Dec-2016 | /intermediateds 24_c | Li, Qiang | vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex | Geometry optimization | - | - | -657.09242903; eV | ||||
1-Dec-2016 | /intermediateds 26_c | Li, Qiang | vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex | Geometry optimization | - | - | -649.67780599; eV | ||||
1-Dec-2016 | /intermediateds 26_r | Li, Qiang | vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex | Geometry optimization | - | - | -649.26914407; eV | ||||
1-Dec-2016 | /intermediateds 12_c | Li, Qiang | vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex | Geometry optimization | - | - | -664.07555789; eV | ||||
1-Dec-2016 | /intermediateds 01_c | Li, Qiang | vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex | Geometry optimization | - | - | -660.49622427; eV | ||||
1-Dec-2016 | /intermediateds 24_r | Li, Qiang | vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex | Geometry optimization | - | - | -656.83607038; eV | ||||
1-Dec-2016 | /intermediateds 28_c | Li, Qiang | vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex | Single point | - | - | -656.39517799; eV | ||||
8-May-2017 | Ru-33109 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex | Geometry optimization | - | - | -362.64215018; eV |
Results 11-20 of 2743 (Search time: 0.003 seconds).
Discover
Subject
- 2493 Methanol
- 2493 Palladium
- 2493 Platinum
- 1569 Big data
- 1569 Bronsted Evans Polanyi
- 1569 copper
- 1569 ethanol
- 1569 ethylene glycol
- 1569 glycerol
- 1569 Poly-alcohols
- next >