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_TS489_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.719235226497; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_second_TS1 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.730233459457; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_second_TS2 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.730773123697; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_second_TS0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.730239307490; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_second_TS3 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.721067596889; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_second_TS6 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.725351350426; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_second_TS4 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.729635211203; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_second_TS5 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.730702398355; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_second_TS61 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.723960196669; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_second_TS63 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.725141946719; Eh | - | - |
Results 391281-391290 of 402241 (Search time: 0.232 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 >