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. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 18-Mar-2026 | /SiMoW Si01Mo02W07O31-3H-iso-3601 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -13.13794000; Eh | |||
 | 18-Mar-2026 | /SiMoW Si01Mo02W07O34-3H-iso-3604 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -14.90460309; Eh | |||
 | 18-Mar-2026 | /SiMoW Si01Mo01W08O34-2H-iso-35280 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -14.93318070; Eh | |||
 | 18-Mar-2026 | /SiMoW Si01Mo01W10O39-0H-iso-3265920 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -16.98287195; Eh | |||
 | 18-Mar-2026 | /SiMoW Si01Mo01W08O31-3H-iso-600 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -13.18878883; Eh | |||
 | 18-Mar-2026 | /SiMoW Si01Mo01W04O19-0H-iso-1 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -8.21707932; Eh | |||
 | 18-Mar-2026 | /SiMoW Si01Mo01W08O34-1H-iso-1 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -14.88563884; Eh | |||
 | 18-Mar-2026 | /SiMoW Si01Mo01W02O13-0H-iso-1 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -5.53839223; Eh | |||
 | 19-Mar-2026 | /AsTaW As01Ta06W05O39-2H-iso-19981516 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -17.54966979; Eh | |||
 | 19-Mar-2026 | /AsTaW As01Ta07W04O39-2H-iso-14515920 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -17.64142836; Eh |
Results 104241-104250 of 104297 (Search time: 0.067 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 >