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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 As01Mo05W04O34-3H-iso-161526 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -14.38287821; Eh | |||
 | 19-Mar-2026 | /AsMoW As01Mo04W07O39-1H-iso-28224018 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -16.47946668; Eh | |||
 | 19-Mar-2026 | /AsMoW As01Mo06W06O40-1H-iso-263692813 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -16.48727888; Eh | |||
 | 19-Mar-2026 | /SiW Si01W11O39-2H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -17.09738608; Eh | |||
 | 19-Mar-2026 | /SiW Si00W02O07-2H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -3.03012067; Eh | |||
 | 19-Mar-2026 | /SiW Si00W03O10-1H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -4.31338561; Eh | |||
 | 19-Mar-2026 | /SiW Si00W03O11-1H-iso-0 | Buils, Jordi | ADF; 2019 | Geometry optimization | PBE | TZP | -4.90089252; Eh | |||
 | 19-Mar-2026 | /AsMoW As01Mo04W07O39-2H-iso-2419698 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -16.48850665; Eh | |||
 | 19-Mar-2026 | /AsMoW As01Mo08W04O40-2H-iso-818220 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -16.28734739; Eh | |||
 | 19-Mar-2026 | /AsMoW As01Mo04W08O40-0H-iso-25647124 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -16.66920328; Eh |
Results 104161-104170 of 104297 (Search time: 0.062 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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