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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 19-Mar-2026 | /Mo Mo02O10-7H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | - | |||
| 19-Mar-2026 | /Mo Mo06O20-2H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | - | |||
| 19-Mar-2026 | /Mo Mo05O22-7H-iso-0 | Buils, Jordi | ADF; 2019 | Single point | PBE | TZP | - | |||
| 19-Mar-2026 | /AsMoW As01Mo05W06O39-3H-iso-1834560 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -16.41361710; Eh | |||
| 19-Mar-2026 | /AsMoW As01Mo07W04O39-2H-iso-1089513 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -16.29931029; Eh | |||
| 19-Mar-2026 | /AsMoW As01Mo06W03O34-3H-iso-138673 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -14.31760546; Eh | |||
| 19-Mar-2026 | /AsMoW As01Mo07W02O34-2H-iso-92461 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -14.23260834; Eh | |||
| 19-Mar-2026 | /AsMoW As01Mo06W06O40-1H-iso-239664300 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -16.48646874; Eh | |||
| 19-Mar-2026 | /AsMoW As01Mo06W06O40-0H-iso-239516211 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -16.54577446; Eh | |||
| 19-Mar-2026 | /AsMoW As01Mo02W03O19-2H-iso-13 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -7.75049201; Eh |
Results 100541-100550 of 101944 (Search time: 0.046 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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