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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 As01Mo06W03O34-2H-iso-122430 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -14.29684551; Eh | |||
| 19-Mar-2026 | /AsMoW As01Mo04W07O39-2H-iso-20533 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -16.49151438; Eh | |||
| 19-Mar-2026 | /AsMoW As01Mo02W07O31-2H-iso-286560 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -12.78246021; Eh | |||
| 19-Mar-2026 | /AsMoW As01Mo08W03O39-1H-iso-10967913 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -16.23056709; Eh | |||
| 19-Mar-2026 | /AsMoW As01Mo11W01O40-1H-iso-43545600 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -16.17760209; Eh | |||
| 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 | /Ta Ta24O72-10H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -34.38547138; Eh |
Results 100571-100580 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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