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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 18-May-2023 | TS_D2w | Puiggalí I Jou, Jordi | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RB3LYP | LANL2DZ 6-31G(D,P) GEN | -2120.47717510; Eh | |||
 | 18-May-2023 | TS_B_-D | Puiggalí I Jou, Jordi | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RB3LYP | LANL2DZ 6-31G(D,P) GEN | -2043.98563179; Eh |
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- 16 Polyoxometalates
- 16 Zirconium
- 14 Epoxidation
- 10 Borates
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- 10 Dienes
- 10 Hydroboration
- 10 Transition-metal-free