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_initial_TS146_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.601216550333; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_initial_TS131_1 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.603837507964; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_initial_TS151_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.600185174868; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_initial_TS134_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.601801433561; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_initial_TS138_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.601054234800; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_initial_TS132_0 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.602451294813; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_second_TS31 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.605924871914; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_second_TS26 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.598702743237; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_second_TS30 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.604728395023; Eh | - | - | |
| 6-Mar-2026 | aldol_diffsub_second_TS35 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -774.609807204027; Eh | - | - |
Results 390021-390030 of 402373 (Search time: 0.197 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 >