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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 As01Mo06W06O40-1H-iso-1614966 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -16.48764974; Eh | |||
 | 19-Mar-2026 | /AsMoW As01Mo01W11O40-0H-iso-3265920 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -16.85477824; Eh | |||
 | 19-Mar-2026 | /AsMoW As01Mo08W01O34-1H-iso-40320 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -14.13791232; Eh | |||
 | 19-Mar-2026 | /AsMoW As01Mo01W08O31-2H-iso-600 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -12.84262614; Eh | |||
 | 19-Mar-2026 | /AsMoW As01Mo01W05O22-1H-iso-4 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -9.11695492; Eh | |||
 | 19-Mar-2026 | /PMo P01Mo11O39-1H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -16.21374610; Eh | |||
 | 19-Mar-2026 | /PMo P00Mo02O07-1H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -2.95895922; Eh | |||
 | 19-Mar-2026 | /Ta Ta16O49-7H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -23.43534686; Eh | |||
 | 19-Mar-2026 | /Ta Ta06O19-1H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -9.06970353; Eh | |||
 | 19-Mar-2026 | /Ta Ta05O16-1H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -7.60007199; Eh |
Results 104181-104190 of 104297 (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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