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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 8-Apr-2024 | /figureS1 1TS1Z | Mu, Manting | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RwB97XD | 6-31G(D,P) 6-31+G(D,P) GEN | -1618.19565468; Eh | |||
| 8-Apr-2024 | /figureS2 12TS1E | Mu, Manting | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RwB97XD | 6-31G(D,P) 6-31+G(D,P) GEN | -1515.73525617; Eh | |||
| 8-Apr-2024 | /figureS1 1TS2ZnoHTMP | Mu, Manting | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RwB97XD | 6-31G(D,P) 6-31+G(D,P) GEN | -1735.61509088; Eh | |||
| 8-Apr-2024 | /figure_1 1TS2E | Mu, Manting | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RwB97XD | 6-31G(D,P) 6-31+G(D,P) GEN | -1618.20330872; Eh | |||
| 8-Apr-2024 | /figureS3 12TS1Z | Mu, Manting | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RwB97XD | 6-31G(D,P) 6-31+G(D,P) GEN | -1515.73672211; Eh |
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- 103 Sodium
- 82 Amides
- 82 Iron
- 61 Reaction mechanisms
- 58 Cooperative effects
- 58 Metalation
- 36 Homogeneous catalysis
- 30 Boron
- 28 Hydrogenation
- 15 Alkenes
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