Search
Add filters:
Use filters to refine the search results.
Item hits:
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 6-Mar-2026 | aldol_anion_initial_TS359_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.729218310990; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_second_TS35 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.726487319438; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_second_TS36 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.723378621170; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_second_TS38 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.729591963530; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_second_TS41 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.726189016648; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_second_TS42 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.731883461015; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_second_TS34 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.727163369883; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_second_TS40 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.727116377952; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_second_TS39 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.727163874864; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_second_TS37 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.725224473316; Eh | - | - |
Results 389341-389350 of 402284 (Search time: 0.237 seconds).
Discover
Subject
- 12577 Density functional calculations
- 6967 Radicals
- 6799 Ab initio calculations
- 6766 Aromaticity
- 6643 Magnetic properties
- 6348 Electric Field
- 6348 Magnetoelectricity
- 4188 2D Covalent Organic Frameworks
- 3761 BF3 Solvation
- 3145 Homogeneous catalysis
- next >