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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 9-Oct-2023 | TEOA | Penas, Francesc | Gaussian; 16; ES64L-G16RevC.02 | Geometry optimization Minimum | RwB97XD | GEN | -517.915110045; Eh |
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Subject
- 21 Keggin
- 21 Ni4 containing
- 21 Photocatalysis
- 21 Polyoxometalates
- 21 Protonation
- 21 Reduction
- 21 Rubpy3
- 21 Sandwich complexes
Program name
- 21 Gaussian
Calculation type