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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 19-Mar-2026 | /SiTaW Si01Ta03W09O40-1H-iso-29060736 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -17.78334744; Eh | |||
| 19-Mar-2026 | /SiTaW Si01Ta03W09O40-0H-iso-25200 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -17.80872940; Eh | |||
| 19-Mar-2026 | /SiTaW Si01Ta01W08O34-2H-iso-35280 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -15.10482470; Eh | |||
| 19-Mar-2026 | /SiTaW Si01Ta02W10O40-1H-iso-12 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -17.62665595; Eh | |||
| 19-Mar-2026 | /SiTaW Si01Ta01W10O39-0H-iso-3265920 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -17.18060217; Eh | |||
| 19-Mar-2026 | /SiTaW Si01Ta01W02O13-2H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -5.83728561; Eh | |||
| 19-Mar-2026 | /SiTaW Si01Ta01W08O31-0H-iso-4 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -13.50993615; Eh | |||
| 19-Mar-2026 | /W W06O22-2H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -9.77334841; Eh | |||
| 19-Mar-2026 | /W W11O40-1H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -17.49342009; Eh | |||
| 19-Mar-2026 | /W W12O40-1H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -17.46591036; Eh |
Results 101181-101190 of 101944 (Search time: 0.047 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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