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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 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 | |||
| 19-Mar-2026 | /AsTaW As01Ta05W07O40-2H-iso-281620156 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -17.72342519; Eh | |||
| 19-Mar-2026 | /AsTaW As01Ta06W03O31-2H-iso-136326 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -13.93851730; Eh | |||
| 19-Mar-2026 | /AsTaW As01Ta05W07O40-0H-iso-281840401 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -17.74397349; Eh | |||
| 19-Mar-2026 | /AsTaW As01Ta05W04O34-1H-iso-163448 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -15.11011354; Eh | |||
| 19-Mar-2026 | /AsTaW As01Ta05W04O31-1H-iso-181449 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -13.78825988; Eh | |||
| 19-Mar-2026 | /AsTaW As01Ta05W04O31-3H-iso-144 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -13.83276695; Eh | |||
| 19-Mar-2026 | /AsTaW As01Ta04W02O22-1H-iso-300 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -9.75996950; Eh | |||
| 19-Mar-2026 | /AsTaW As01Ta01W04O19-2H-iso-96 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -8.03579147; Eh |
Results 100421-100430 of 101953 (Search time: 0.061 seconds).
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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
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