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 | Mannich_S_initial_TS434_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.649765974606; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_initial_TS437_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.640826532182; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_initial_TS438_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.646108203930; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_initial_TS439_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.643244872284; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_initial_TS447_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.640841414295; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_initial_TS448_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.640995741456; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_initial_TS451_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.642543536011; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_second_TS78 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.625136215733; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_second_TS79 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.647320547501; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_second_TS81 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.639903212175; Eh | - | - |
Results 391381-391390 of 402241 (Search time: 0.195 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 >