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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 18-Mar-2026 | /SiMo Si00Mo03O09-1H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -3.50723432; Eh | |||
| 18-Mar-2026 | /SiMo Si00Mo03O09-0H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -3.58338408; Eh | |||
| 18-Mar-2026 | /SiMo Si00Mo01O04-0H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -1.74570422; Eh | |||
| 18-Mar-2026 | /AsTaW As01Ta06W06O40-0H-iso-239516211 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -17.87749804; Eh | |||
| 18-Mar-2026 | /AsTaW As01Ta01W08O34-3H-iso-600 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -14.81832895; Eh | |||
| 18-Mar-2026 | /SiMoW Si01Mo02W07O31-3H-iso-3601 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -13.13794000; Eh | |||
| 18-Mar-2026 | /SiMoW Si01Mo02W07O34-3H-iso-3604 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -14.90460309; Eh | |||
| 18-Mar-2026 | /AsTaW As01Ta03W02O19-0H-iso-64 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -8.35698493; Eh | |||
| 18-Mar-2026 | /SiMoW Si01Mo01W08O34-2H-iso-35280 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -14.93318070; Eh | |||
| 18-Mar-2026 | /SiMoW Si01Mo01W10O39-0H-iso-3265920 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -16.98287195; Eh |
Results 100411-100420 of 101953 (Search time: 0.063 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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