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_neutral_second_TS149 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -739.267635170180; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_initial_TS111_2 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.726958263612; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_initial_TS108_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.730034190378; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_initial_TS112_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.726244081101; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_initial_TS109_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.725936599743; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_initial_TS95_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.726613101568; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_initial_TS99_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.728660188444; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_initial_TS83_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.725717413560; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_initial_TS84_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.724018912892; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_initial_TS91_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.729251298803; Eh | - | - |
Results 391261-391270 of 402241 (Search time: 0.202 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 >