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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 19-Mar-2026 | /AsTaW As01Ta04W01O19-2H-iso-33 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -8.46936538; Eh | |||
 | 19-Mar-2026 | /AsTaW As01Ta05W07O40-2H-iso-281623680 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -17.72380898; Eh | |||
 | 19-Mar-2026 | /AsTaW As01Ta05W07O40-2H-iso-2016061 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -17.70199141; Eh | |||
 | 19-Mar-2026 | /AsTaW As01Ta05W07O40-1H-iso-1834996 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -17.75288341; Eh | |||
 | 19-Mar-2026 | /AsTaW As01Ta05W06O39-0H-iso-23975778 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -17.28748840; Eh | |||
 | 19-Mar-2026 | /AsTaW As01Ta05W04O31-3H-iso-1440 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -13.83293655; Eh | |||
 | 19-Mar-2026 | /AsTaW As01Ta04W05O34-0H-iso-204556 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -14.93535045; Eh | |||
 | 19-Mar-2026 | /AsTaW As01Ta05W04O31-0H-iso-163873 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -13.73464748; Eh | |||
 | 19-Mar-2026 | /AsTaW As01Ta04W05O31-0H-iso-204961 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -13.60400065; Eh | |||
 | 19-Mar-2026 | /AsTaW As01Ta02W09O39-0H-iso-484 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -16.96946560; Eh |
Results 104141-104150 of 104157 (Search time: 0.061 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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