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. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 27-Jul-2021 | TaO5_3H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -2.45405641; Eh | |||
| 27-Jul-2021 | Ta9O27_0H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -12.79179678; Eh | |||
| 27-Jul-2021 | TaO4_3H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -1.92701329; Eh | |||
| 27-Jul-2021 | TaO5_4H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -2.46440900; Eh | |||
| 27-Jul-2021 | TaO3_3H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -1.21195659; Eh | |||
| 27-Jul-2021 | TaO5_5H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -2.45975319; Eh | |||
| 27-Jul-2021 | Ta24O72_10H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -34.38547138; Eh | |||
| 27-Jul-2021 | Ta05O14_1H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -6.56565112; Eh | |||
| 27-Jul-2021 | Ta5O16_1H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -7.59990156; Eh | |||
| 27-Jul-2021 | Ta4O13_1H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | -6.18211744; Eh |
Results 57351-57360 of 104126 (Search time: 0.035 seconds).
Discover
Subject
- 13599 Heterogeneous catalysis
- 12448 Adsorption
- 12178 Transition metals
- 7049 Transition states
- 4273 Supramolecular chemistry
- 4255 Nanostructures
- 4250 Electrochemical CO₂ reduction
- 4232 Conformation analysis
- 4232 N-Oxides
- 3932 Copper
- next >