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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 As01Ta03W06O34-0H-iso-25212 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -14.86218263; Eh | |||
| 19-Mar-2026 | /AsTaW As01Ta03W09O40-0H-iso-25200 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -17.44758590; Eh | |||
| 19-Mar-2026 | /AsTaW As01Ta02W10O40-0H-iso-2 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -17.28307131; Eh | |||
| 19-Mar-2026 | /PMoW P01Mo02W09O39-0H-iso-484 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -16.74830702; Eh | |||
| 19-Mar-2026 | /PMoW P01Mo03W06O31-0H-iso-436 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -12.97515311; Eh | |||
| 19-Mar-2026 | /PMoW P01Mo01W02O13-3H-iso-4 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -5.39582305; Eh | |||
| 19-Mar-2026 | /PMoW P01Mo02W01O13-2H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -5.38667248; Eh | |||
| 19-Mar-2026 | /PMoW P00Mo00W03O09-0H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -3.72670459; Eh | |||
| 19-Mar-2026 | /SiW Si01W12O40-0H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -17.31730789; Eh | |||
| 19-Mar-2026 | /SiW Si01W00O04-2H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -1.85827362; Eh |
Results 101131-101140 of 101944 (Search time: 0.05 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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