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. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 19-Mar-2026 | /AsTaW As01Ta07W05O40-0H-iso-201199322 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -18.00172822; Eh | |||
| 19-Mar-2026 | /AsTaW As01Ta06W06O40-1H-iso-261500412 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -17.86838909; Eh | |||
| 19-Mar-2026 | /AsTaW As01Ta06W03O31-0H-iso-122649 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -13.85442245; Eh | |||
| 19-Mar-2026 | /AsTaW As01Ta05W01O22-1H-iso-150 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -9.89458241; Eh | |||
| 19-Mar-2026 | /AsTaW As01Ta05W06O39-3H-iso-2016050 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -17.48694813; Eh | |||
| 19-Mar-2026 | /AsTaW As01Ta04W07O39-2H-iso-2177330 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -17.32593130; Eh | |||
| 19-Mar-2026 | /AsTaW As01Ta03W06O31-2H-iso-25212 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -13.48949010; Eh | |||
| 19-Mar-2026 | /AsTaW As01Ta04W07O39-1H-iso-2419276 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -17.27511649; Eh | |||
| 19-Mar-2026 | /AsTaW As01Ta07W02O34-1H-iso-81504 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -15.22155391; Eh | |||
| 19-Mar-2026 | /AsTaW As01Ta07W02O34-0H-iso-90872 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -15.12058212; Eh |
Results 101121-101130 of 101944 (Search time: 0.059 seconds).
Discover
Subject
- 13581 Heterogeneous catalysis
- 12448 Adsorption
- 12178 Transition metals
- 7049 Transition states
- 4273 Supramolecular chemistry
- 4255 Nanostructures
- 4232 Conformation analysis
- 4232 Electrochemical CO₂ reduction
- 4232 N-Oxides
- 3914 Copper
- next >