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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 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 | |||
 | 19-Mar-2026 | /AsTaW As01Ta04W08O40-0H-iso-322156818 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -17.60471385; Eh | |||
 | 19-Mar-2026 | /AsTaW As01Ta05W07O40-0H-iso-2044800 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -17.74435513; Eh | |||
 | 19-Mar-2026 | /AsTaW As01Ta07W02O31-0H-iso-92408 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -13.97586419; Eh | |||
 | 19-Mar-2026 | /AsTaW As01Ta05W04O34-0H-iso-15369 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -15.00709711; Eh | |||
 | 19-Mar-2026 | /AsTaW As01Ta01W10O39-2H-iso-4320 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -16.89777272; Eh | |||
 | 19-Mar-2026 | /AsTaW As01Ta05W04O31-2H-iso-0 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -13.82626694; Eh |
Results 104131-104140 of 104157 (Search time: 0.06 seconds).
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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
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