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_diffsub_second_TS145 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.604711243165; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_initial_TS15_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.672684776628; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_initial_TS17_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.667249744010; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_initial_TS11_1 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.660548100330; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_initial_TS9_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.660551755320; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_initial_TS19_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.659238730235; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_initial_TS8_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.660551207127; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_initial_TS10_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.652483361717; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_initial_TS6_1 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.660551385477; Eh | - | - | |
| 6-Mar-2026 | Mannich_S_initial_TS14_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -3667.672694197061; Eh | - | - |
Results 390711-390720 of 402296 (Search time: 0.239 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 >