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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 As01Mo04W05O31-3H-iso-2220 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -12.61633416; Eh | |||
 | 19-Mar-2026 | /AsMoW As01Mo04W05O31-0H-iso-204961 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -12.75620170; Eh | |||
 | 19-Mar-2026 | /AsMoW As01Mo01W08O34-2H-iso-35280 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -14.60621528; Eh | |||
 | 19-Mar-2026 | /AsMoW As02Mo03W02O23-2H-iso-48 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -9.31666264; Eh | |||
 | 19-Mar-2026 | /AsMoW As01Mo02W10O40-0H-iso-2 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -16.79275507; Eh | |||
 | 19-Mar-2026 | /AsMoW As01Mo02W03O19-1H-iso-3 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -7.80341089; Eh | |||
 | 19-Mar-2026 | /AsMoW As01Mo08W03O39-1H-iso-10967913 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -16.23056709; Eh | |||
 | 19-Mar-2026 | /AsMoW As01Mo07W02O31-3H-iso-92451 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -12.42454499; Eh | |||
 | 19-Mar-2026 | /AsMoW As01Mo02W07O31-2H-iso-286560 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -12.78246021; Eh | |||
 | 19-Mar-2026 | /AsMoW As01Mo02W07O34-2H-iso-3600 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -14.54369130; Eh |
Results 104171-104180 of 104297 (Search time: 0.06 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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