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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 1-Aug-2026 | /3-bromo-2-silylbenzofuran TS(VIII-IX) | Rodríguez Sugranyes, Arnau | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | - | 6-31G** LANL2DZ GENECP | -2334.78711648; Eh | |||
| 1-Aug-2026 | /3-bromo-2-silylbenzofuran TS(VII-X) | Rodríguez Sugranyes, Arnau | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | - | 6-31G** LANL2DZ GENECP | -2334.76748710; Eh | |||
| 1-Aug-2026 | /3-bromo-2-silylbenzofuran TS(X-XI) | Rodríguez Sugranyes, Arnau | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | - | 6-31G** LANL2DZ GENECP | -2334.76392110; Eh | |||
| 1-Aug-2026 | /3-bromo-2-silylbenzofuran TS(XI-IX) | Rodríguez Sugranyes, Arnau | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | - | 6-31G** LANL2DZ GENECP | -2334.77951429; Eh |
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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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