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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 19-Mar-2026 | /AsMoW As01Mo04W02O22-0H-iso-246 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -8.98613214; Eh | |||
| 19-Mar-2026 | /AsMoW As01Mo07W05O40-2H-iso-217909501 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -16.35479979; Eh | |||
| 19-Mar-2026 | /AsMoW As01Mo07W04O39-2H-iso-16130220 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -16.29736342; Eh | |||
| 19-Mar-2026 | /AsMoW As01Mo03W08O39-3H-iso-29030976 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -16.54027754; Eh | |||
| 19-Mar-2026 | /AsMoW As01Mo04W05O31-3H-iso-2220 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -12.61633416; Eh | |||
| 19-Mar-2026 | /AsMoW As01Mo06W06O40-0H-iso-19958648 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -16.54597475; Eh | |||
| 19-Mar-2026 | /AsMoW As01Mo01W08O34-2H-iso-35280 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -14.60621528; Eh | |||
| 19-Mar-2026 | /AsMoW As01Mo02W09O39-0H-iso-484 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -16.58525044; Eh | |||
| 19-Mar-2026 | /AsMoW As02Mo03W02O23-2H-iso-48 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -9.31666264; Eh | |||
| 19-Mar-2026 | /AsMoW As01Mo02W10O40-0H-iso-2 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -16.79275507; Eh |
Results 100561-100570 of 101944 (Search time: 0.059 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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