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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 19-Mar-2026 | /AsMo As01Mo12O40-0H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -16.17794054; Eh | |||
| 19-Mar-2026 | /AsMo As00Mo01O04-2H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -1.72573622; Eh | |||
| 19-Mar-2026 | /AsMo As00Mo02O07-0H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -2.98115034; Eh | |||
| 19-Mar-2026 | /Nb Nb06O19-2H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -8.99111772; Eh | |||
| 19-Mar-2026 | /Nb Nb06O19-1H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -8.95366299; Eh | |||
| 19-Mar-2026 | /Nb Nb09O27-0H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -12.63142418; Eh | |||
| 19-Mar-2026 | /Nb Nb02O07-0H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -3.26661780; Eh | |||
| 19-Mar-2026 | /Nb Nb03O10-0H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -4.66671941; Eh | |||
| 19-Mar-2026 | /SiTaW Si01Ta03W08O39-3H-iso-29030976 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -17.55050993; Eh | |||
| 19-Mar-2026 | /SiTaW Si01Ta03W08O39-1H-iso-31933458 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -17.45145949; Eh |
Results 101171-101180 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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