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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 19-Mar-2026 | /AsTaW As01Ta06W03O34-1H-iso-136380 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -15.17458258; Eh | |||
| 19-Mar-2026 | /AsTaW As01Ta04W08O40-0H-iso-2202556 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -17.60355665; Eh | |||
| 19-Mar-2026 | /AsTaW As01Ta04W07O39-0H-iso-231000 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -17.18524789; Eh | |||
| 19-Mar-2026 | /AsTaW As01Ta06W06O40-1H-iso-241315200 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -17.87313817; Eh | |||
| 19-Mar-2026 | /AsTaW As01Ta06W06O40-0H-iso-1466640 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -17.88280300; Eh | |||
| 19-Mar-2026 | /AsTaW As01Ta05W07O40-1H-iso-279441121 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -17.74775383; Eh | |||
| 19-Mar-2026 | /AsTaW As01Ta05W04O34-2H-iso-181449 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -15.19072734; Eh | |||
| 19-Mar-2026 | /AsTaW As01Ta06W03O34-3H-iso-138673 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -15.37068070; Eh | |||
| 19-Mar-2026 | /AsTaW As01Ta06W05O39-1H-iso-1633410 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -17.45561361; Eh | |||
| 19-Mar-2026 | /AsTaW As01Ta07W05O40-0H-iso-217912320 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -17.99814359; Eh |
Results 101111-101120 of 101944 (Search time: 0.055 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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