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Collection hits:
| Collection Name |
|---|
| Electroreductive_Cleavage_of_C(sp3)–N_Bonds_ |
Item hits:
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 5-Nov-2025 | III-1a-DM | Díaz-Ruiz, Marina | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | RM062X | DEF2TZVP | -761.8445318; Eh | |||
 | 5-Nov-2025 | IV-1a-DM | Díaz-Ruiz, Marina | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | RM062X | DEF2TZVP | -761.8810739; Eh | |||
 | 5-Nov-2025 | II-1a-DM | Díaz-Ruiz, Marina | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | UM062X | DEF2TZVP | -761.7359194; Eh | |||
 | 5-Nov-2025 | V-1a-DM | Díaz-Ruiz, Marina | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | UM062X | DEF2TZVP | -761.721303; Eh | |||
 | 5-Nov-2025 | I-1a-DM | Díaz-Ruiz, Marina | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | RM062X | DEF2TZVP | -761.5869431; Eh | |||
 | 12-Mar-2026 | TS2d | Li, Yingzi | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | RM06 | DEF2TZVP | -6627.6327971; Eh | |||
 | 12-Mar-2026 | TS2c | Li, Yingzi | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | RM06 | DEF2TZVP | -6627.6248738; Eh | |||
 | 12-Mar-2026 | int1d | Li, Yingzi | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | RM06 | DEF2TZVP | -6088.342334; Eh | |||
 | 12-Mar-2026 | Anthraquinone5 | Li, Yingzi | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | RM06 | DEF2TZVP | -688.5451378; Eh |
Results 12331-12340 of 12354 (Search time: 0.009 seconds).
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- 748 Reaction mechanisms
- 705 Density functional calculations
- 684 Homogeneous catalysis
- 529 Copper
- 372 Cross-coupling
- 327 Photocatalysis
- 322 Halides
- 322 Nickel
- 310 C-H activation
- 294 Imine Condensation
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