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_TS327_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.647154066644; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_initial_TS329_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.661185052799; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_initial_TS331_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.666695075088; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_initial_TS333_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.672688225188; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_initial_TS334_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.661316066766; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_initial_TS337_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.665078671689; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_initial_TS342_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.647272016924; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_initial_TS339_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.654357319872; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_initial_TS474_1 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.657891572086; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_initial_TS481_1 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.649658469241; Eh | - | - |
Results 388791-388800 of 402241 (Search time: 0.229 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 >