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. |
---|---|---|---|---|---|---|---|---|---|---|---|
28-Nov-2017 | ss-CuZn-0000 | García Muelas, Rodrigo | vasp; 5.3.5; 31Mar14 (build Jun 1 2014 07:54:15) complex | Geometry optimization | - | - | -140.15375498; eV | ||||
28-Nov-2017 | ss-RuNi-0000 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex | Geometry optimization | - | - | -370.96317796; eV | ||||
6-May-2019 | DI-1Pd-i31 | García Muelas, Rodrigo | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -1116.46070271; eV | ||||
28-Nov-2017 | ss-NiAg-0111 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex | Geometry optimization | - | - | -218.81752114; eV | ||||
28-Nov-2017 | ss-AgIr-0011 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex | Geometry optimization | - | - | -192.34724996; eV | ||||
28-Nov-2017 | ss-NiIr-0011 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex | Geometry optimization | - | - | -291.71036825; eV | ||||
28-Nov-2017 | ol-OsZn-0111 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex | Geometry optimization | - | - | -416.85223194; eV | ||||
28-Nov-2017 | ss-AgRe-0011 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex | Geometry optimization | - | - | -228.27125156; eV | ||||
28-Nov-2017 | ol-OsRh-0000 | García Muelas, Rodrigo | vasp; 5.3.5; 31Mar14 (build Jun 1 2014 07:54:15) complex | Geometry optimization | - | - | -474.59245826; eV | ||||
28-Nov-2017 | ol-OsRh-0011 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex | Geometry optimization | - | - | -481.65077375; eV |
Results 6601-6610 of 7273 (Search time: 0.009 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