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 | i021101 | García Muelas, Rodrigo | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -140.46237624; eV | ||||
21-Oct-2016 | gas-e1 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex | Geometry optimization | - | - | -46.97006085; eV | ||||
21-Oct-2016 | gas-p3 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex | Geometry optimization | - | - | -70.18558951; eV | ||||
21-Oct-2016 | gas-p1 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex | Geometry optimization | - | - | -63.57798458; eV | ||||
21-Oct-2016 | gas-fu | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex | Geometry optimization | - | - | -139.95144956; eV | ||||
21-Oct-2016 | gas-m1 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex | Geometry optimization | - | - | -30.24095165; eV | ||||
21-Oct-2016 | gas-p2 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex | Geometry optimization | - | - | -63.72459586; eV | ||||
21-Oct-2016 | gas-vo | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex | Geometry optimization | - | - | -169.35329400; eV | ||||
21-Oct-2016 | Pd-Pt2v | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex | Single point | - | - | -282.77314501; eV | ||||
21-Oct-2016 | Pd-Pt3v | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex | Single point | - | - | -636.24531970; eV |
Results 11-20 of 7273 (Search time: 0.002 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