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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 Si01Mo11O39-0H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -16.35287811; Eh | |||
 | 16-Jan-2026 | /FG_dataset/group3S/ag/111 ag-4aS4-a | Morandi, Santiago | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -203.52012658; eV | |||
| 18-Mar-2026 | /SiMo Si01Mo11O39-2H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -16.39841195; Eh | |||
| 18-Mar-2026 | /SiMo Si01Mo09O34-3H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -14.46509187; Eh | |||
| 18-Mar-2026 | /SiMo Si02Mo05O23-1H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -9.79390126; Eh | |||
| 18-Mar-2026 | /SiMo Si01Mo11O39-1H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -16.38376150; Eh | |||
| 18-Mar-2026 | /SiMo Si00Mo02O08-1H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -3.47338571; Eh | |||
| 18-Mar-2026 | /SiMo Si00Mo01O04-1H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -1.75055714; Eh | |||
| 18-Mar-2026 | /SiMo Si01Mo00O04-1H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -1.79299714; Eh | |||
| 18-Mar-2026 | /SiMo Si00Mo03O10-0H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -4.19076227; Eh |
Results 55371-55380 of 104126 (Search time: 0.037 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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