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Collection hits:
| Collection Name |
|---|
| C(sp2)–H Arylation |
Item hits:
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 23-Jul-2026 | 45-Ph-5DMeO | Sciortino, Giuseppe | Gaussian; 16; ES64L-G16RevA.03 | Single point Minimum | AsymmetricIEFPCM; m06 | 6-31G* GEN | -384.616318520; Eh | |||
 | 23-Jul-2026 | 05-TS_LS | Sciortino, Giuseppe | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | - | 6-31G* GENECP | -1700.04853993; Eh | |||
 | 23-Jul-2026 | 23-TS_c1-c2N | Sciortino, Giuseppe | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | - | 6-31G* GENECP | -1680.75343139; Eh | |||
 | 23-Jul-2026 | 36-TS_c9N-c7N | Sciortino, Giuseppe | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization TS | - | 6-31G* GENECP | -1649.38706561; Eh | |||
 | 23-Jul-2026 | 37-TS_c2N-c9N | Sciortino, Giuseppe | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization TS | - | 6-31G* GENECP | -1649.40823704; 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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