Search
Add filters:
Use filters to refine the search results.
Item hits:
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 19-Mar-2026 | /AsMoW As01Mo05W04O34-2H-iso-163490 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -14.35919922; Eh | |||
| 19-Mar-2026 | /AsMoW As01Mo05W07O40-0H-iso-23950453 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -16.60768169; Eh | |||
| 19-Mar-2026 | /AsMoW As01Mo06W05O39-0H-iso-1635853 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -16.33960813; Eh | |||
| 19-Mar-2026 | /AsMoW As01Mo04W05O34-0H-iso-2532 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -14.34172263; Eh | |||
| 19-Mar-2026 | /AsMoW As01Mo02W04O22-1H-iso-13 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -9.06429768; Eh | |||
| 19-Mar-2026 | /AsMoW As01Mo01W04O19-0H-iso-1 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -7.87907023; Eh | |||
| 19-Mar-2026 | /AsMoW As01Mo01W02O13-1H-iso-1 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -5.29416224; Eh | |||
| 19-Mar-2026 | /AsMoW As01Mo07W05O40-0H-iso-201199322 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -16.48411226; Eh | |||
| 19-Mar-2026 | /AsMoW As01Mo04W07O39-1H-iso-2419273 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -16.47476086; Eh | |||
| 19-Mar-2026 | /AsMoW As01Mo03W06O31-1H-iso-242496 | Buils, Jordi | ADF; 2019; 304 | Geometry optimization | PBE | TZP | -12.79193350; Eh |
Results 101871-101880 of 101944 (Search time: 0.064 seconds).
Discover
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
- next >