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. |
---|---|---|---|---|---|---|---|---|---|---|---|
30-Jun-2020 | i111101 | García Muelas, Rodrigo | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -144.68694271; eV | ||||
30-Jun-2020 | i110101 | García Muelas, Rodrigo | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -137.83783813; eV | ||||
30-Jun-2020 | i112102 | García Muelas, Rodrigo | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -152.44704797; eV | ||||
30-Jun-2020 | i111102 | García Muelas, Rodrigo | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -144.49566254; eV | ||||
30-Jun-2020 | i121101 | García Muelas, Rodrigo | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -148.72780206; eV | ||||
30-Jun-2020 | i121102 | García Muelas, Rodrigo | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -148.10900062; eV | ||||
30-Jun-2020 | i120101 | García Muelas, Rodrigo | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -141.42048844; eV | ||||
30-Jun-2020 | i011101 | García Muelas, Rodrigo | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -136.92527676; eV | ||||
30-Jun-2020 | i001101 | García Muelas, Rodrigo | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -132.86937897; eV | ||||
30-Jun-2020 | i010101 | García Muelas, Rodrigo | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -129.49244499; eV |
Results 1-10 of 7273 (Search time: 0.003 seconds).
Discover
Subject
- 2493 Methanol
- 2493 Palladium
- 2493 Platinum
- 2493 Ruthenium
- 2018 Principal Component Analysis
- 1578 Poly-alcohols
- 1569 Big data
- 1569 Bronsted Evans Polanyi
- 1569 copper
- 1569 ethanol
- next >
Date issued
- 1 2017